A0A077Z315_TRITR Loading...

PAT complex subunit CCDC47

AlphaFold DB , UniProt , Accession A0A077Z315, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 504 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.4Low68.9Low205 Ų205139.5 Ų139.5100%1.0166%0.656SS**  0-51.10-86.6-174.8154.400113.7K3 T4 E5M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.19Å; M1-T4 PolarHBondContact O-N 3.17Å; M1-T4 PolarHBondContact O-OG1 3.32Å; M1-E5 PolarHBondContact O-N 3.31Å
2L59.4Low68.9Low131 Ų131132.2 Ų132.269%0.68664%0.637SS**Hα-helixtrans-56.1-32.4-177.8-87.2127.3000117T4 R6L2-T4 VanDerWaalsContact C-N 3.34Å; L2-R6 PolarHBondContact O-N 2.98Å
3K66.2Low69Low192 Ų192132.5 Ų132.584%0.83564%0.637SS**Hα-helixtrans-69.5-32.5176.4-77.6-175.4178.1178.50112.5M1 Y7M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.19Å; K3-Y7 PolarHBondContact O-N 3.11Å
4T69.8Low69.1Low89 Ų89136.4 Ų136.455%0.54664%0.642SS.*Hα-helixtrans-74.1-39.8-177.7-31.70000111.2M1 L2 Y7 L8M1-T4 PolarHBondContact O-N 3.17Å; M1-T4 PolarHBondContact O-OG1 3.32Å; L2-T4 VanDerWaalsContact C-N 3.34Å; T4-Y7 PolarHBondContact O-N 3.43Å; T4-L8 WeakPolarHBondContact O-CG 3.44Å; T4-L8 PolarHBondContact O-N 3.07Å
5E71.6Confident68.8Low128 Ų128137.5 Ų137.560%0.59864%0.644SS**Hα-helixtrans-64.3-43.7175-71.5-175.315200112.4M1 Y7 L8 L9M1-E5 PolarHBondContact O-N 3.31Å; E5-Y7 VanDerWaalsContact C-N 3.29Å; E5-Y7 PolarHBondContact O-N 3.39Å; E5-L8 PolarHBondContact O-N 3.18Å; E5-L9 PolarHBondContact O-N 3.28Å
6R72.9Confident68.8Low188 Ų188134.7 Ų134.771%0.70964%0.639SS**Hα-helixtrans-61.6-37.4175.1-75.8-171.4178.7-170.20.5112.3L2 L10L2-R6 PolarHBondContact O-N 2.98Å; R6-L10 PolarHBondContact O-N 2.92Å
7Y73.7Confident68.8Low152 Ų152138.4 Ų138.460%0.59665%0.645SS**Hα-helixtrans-67.7-41.1177.1-174.5-96.4000112.2K3 T4 E5 L10 K11K3-Y7 PolarHBondContact O-N 3.11Å; T4-Y7 PolarHBondContact O-N 3.43Å; E5-Y7 VanDerWaalsContact C-N 3.29Å; E5-Y7 PolarHBondContact O-N 3.39Å; Y7-L10 PolarHBondContact O-N 2.92Å; Y7-K11 HydrophobicContact CE1-CD 4.19Å; Y7-K11 WeakPolarHBondContact O-CB 3.38Å; Y7-K11 PolarHBondContact O-N 2.89Å
8L73.2Confident68.8Low110 Ų110133 Ų13358%0.57663%0.633SS**Hα-helixtrans-66-41.6176.5-73.3171.1000112.2T4 E5 K11 A12T4-L8 WeakPolarHBondContact O-CG 3.44Å; T4-L8 PolarHBondContact O-N 3.07Å; E5-L8 PolarHBondContact O-N 3.18Å; L8-K11 PolarHBondContact O-N 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 2.96Å
9L73.4Confident68.9Low116 Ų116131.4 Ų131.461%0.60762%0.62SS**Hα-helixtrans-61.4-45.9174.2-95.5163.3000112.2E5 K11 A12 E13E5-L9 PolarHBondContact O-N 3.28Å; L9-K11 VanDerWaalsContact C-N 3.28Å; L9-K11 PolarHBondContact O-N 3.19Å; L9-A12 PolarHBondContact O-N 3.11Å; L9-E13 PolarHBondContact O-N 3.07Å
10L72.7Confident69Low94 Ų94127.4 Ų127.449%0.49261%0.607SS.*Hα-helixtrans-63.3-35.3176.9-117.8117.9000112.3R6 Y7 R14R6-L10 PolarHBondContact O-N 2.92Å; Y7-L10 PolarHBondContact O-N 2.92Å; L10-R14 WeakPolarHBondContact O-CB 3.29Å; L10-R14 WeakPolarHBondContact O-CG 3.41Å; L10-R14 PolarHBondContact O-N 3.28Å; L10-R14 VanDerWaalsContact O-N 3.1Å
11K67.9Low69.2Low130 Ų130124.8 Ų124.857%0.56560%0.602SS**Hα-helixtrans-72.2-37.4177.4-157.9172.6-176-179.50111.4Y7 L8 L9 R14 F15Y7-K11 HydrophobicContact CE1-CD 4.19Å; Y7-K11 WeakPolarHBondContact O-CB 3.38Å; Y7-K11 PolarHBondContact O-N 2.89Å; L8-K11 PolarHBondContact O-N 3.29Å; L9-K11 VanDerWaalsContact C-N 3.28Å; L9-K11 PolarHBondContact O-N 3.19Å; K11-R14 PolarHBondContact O-N 3.14Å; K11-F15 WeakPolarHBondContact O-CB 3.47Å; K11-F15 PolarHBondContact O-N 3.07Å
12A68Low70Confident51 Ų51121.1 Ų121.142%0.42158%0.581SS.*Hα-helixtrans-65.3-45.3173.700000111.9L8 L9 R14 F15 V16L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 2.96Å; L9-A12 PolarHBondContact O-N 3.11Å; A12-R14 VanDerWaalsContact C-N 3.34Å; A12-R14 PolarHBondContact O-N 2.93Å; A12-F15 PolarHBondContact O-N 3.38Å; A12-F15 VanDerWaalsContact O-N 3.15Å; A12-V16 WeakPolarHBondContact O-CG2 3.39Å; A12-V16 PolarHBondContact O-N 3.23Å
13E70.5Confident70.7Confident136 Ų136116.4 Ų116.464%0.63656%0.557SS**Hα-helixtrans-61.1-41.6175.4-76.4-17216300112.2L9 F15 V16 R17L9-E13 PolarHBondContact O-N 3.07Å; E13-F15 VanDerWaalsContact C-N 3.34Å; E13-V16 PolarHBondContact O-N 2.94Å; E13-R17 VanDerWaalsContact O-CB 3.31Å; E13-R17 WeakPolarHBondContact O-CB 3.39Å; E13-R17 PolarHBondContact O-N 3.3Å
14R70.4Confident71.2Confident187 Ų187110 Ų11071%0.70653%0.532SS*.Hα-helixtrans-64.2-38.6174.3-75.8-178-178.3-172.41.1112.2L10 K11 A12 G18L10-R14 WeakPolarHBondContact O-CB 3.29Å; L10-R14 WeakPolarHBondContact O-CG 3.41Å; L10-R14 PolarHBondContact O-N 3.28Å; L10-R14 VanDerWaalsContact O-N 3.1Å; K11-R14 PolarHBondContact O-N 3.14Å; A12-R14 VanDerWaalsContact C-N 3.34Å; A12-R14 PolarHBondContact O-N 2.93Å; R14-G18 PolarHBondContact O-N 3.39Å
15F65.5Low71.5Confident154 Ų154110.8 Ų110.868%0.67553%0.532SS*.Hα-helixtrans-66.5-45.5177.7-170.5-97.2000111.7K11 A12 E13 R17 G18 Y19K11-F15 WeakPolarHBondContact O-CB 3.47Å; K11-F15 PolarHBondContact O-N 3.07Å; A12-F15 PolarHBondContact O-N 3.38Å; A12-F15 VanDerWaalsContact O-N 3.15Å; E13-F15 VanDerWaalsContact C-N 3.34Å; F15-R17 VanDerWaalsContact C-N 3.34Å; F15-R17 PolarHBondContact O-N 2.94Å; F15-G18 PolarHBondContact O-N 3.14Å; F15-Y19 VanDerWaalsContact O-CB 3.27Å; F15-Y19 WeakPolarHBondContact O-CB 3.45Å; F15-Y19 PolarHBondContact O-N 2.9Å
16V67.8Low71.8Confident92 Ų92107.4 Ų107.456%0.55852%0.52SS*.Hα-helixtrans-63.2-40.8176.7174.70000111.3A12 E13 Y19 S20A12-V16 WeakPolarHBondContact O-CG2 3.39Å; A12-V16 PolarHBondContact O-N 3.23Å; E13-V16 PolarHBondContact O-N 2.94Å; V16-Y19 PolarHBondContact O-N 3.1Å; V16-S20 WeakPolarHBondContact O-CB 3.27Å; V16-S20 PolarHBondContact O-N 2.9Å
17R69.2Low71.9Confident198 Ų198100.2 Ų100.275%0.74750%0.497SS*.Hα-helixtrans-68.1-40.8177.6-162.5170.5175.5166.9-2.6112E13 F15 S20 C21E13-R17 VanDerWaalsContact O-CB 3.31Å; E13-R17 WeakPolarHBondContact O-CB 3.39Å; E13-R17 PolarHBondContact O-N 3.3Å; F15-R17 VanDerWaalsContact C-N 3.34Å; F15-R17 PolarHBondContact O-N 2.94Å; R17-S20 PolarHBondContact O-N 3.48Å; R17-C21 PolarHBondContact O-N 2.87Å; R17-C21 VanDerWaalsContact O-N 3.14Å; R17-C21 PolarHBondContact O-SG 3.01Å; R17-C21 VanDerWaalsContact O-SG 3.39Å
18G68.9Low72.1Confident41 Ų4198.3 Ų98.342%0.42349%0.491SS..Hα-helixtrans-64.1-40.8173.400000112.6R14 F15 C21 F22R14-G18 PolarHBondContact O-N 3.39Å; F15-G18 PolarHBondContact O-N 3.14Å; G18-C21 PolarHBondContact O-N 3.34Å; G18-F22 PolarHBondContact O-N 2.95Å
19Y70.3Confident72.2Confident102 Ų10299.9 Ų99.940%0.450%0.495SS..Hα-helixtrans-65.8-41.4177.2-169-98.4000112.1F15 V16 C21 F22 V23 L172F15-Y19 VanDerWaalsContact O-CB 3.27Å; F15-Y19 WeakPolarHBondContact O-CB 3.45Å; F15-Y19 PolarHBondContact O-N 2.9Å; V16-Y19 PolarHBondContact O-N 3.1Å; Y19-C21 PolarHBondContact O-N 3.1Å; Y19-F22 PolarHBondContact O-N 3.24Å; Y19-V23 HydrophobicContact CD1-CG2 4Å; Y19-V23 HydrophobicContact CE1-CG2 3.8Å; Y19-V23 WeakPolarHBondContact O-CG2 3.44Å; Y19-V23 PolarHBondContact O-N 3.25Å; Y19-L172 WeakPolarHBondContact OH-CD2 3.36Å
20S70.9Confident72.3Confident52 Ų5299 Ų9936%0.36449%0.491SS..Hα-helixtrans-58.4-45.7172.9-1740000111.6V16 R17 I24V16-S20 WeakPolarHBondContact O-CB 3.27Å; V16-S20 PolarHBondContact O-N 2.9Å; R17-S20 PolarHBondContact O-N 3.48Å; S20-I24 WeakPolarHBondContact O-CB 3.47Å; S20-I24 WeakPolarHBondContact O-CD1 3.46Å; S20-I24 WeakPolarHBondContact O-CG1 3.49Å; S20-I24 PolarHBondContact O-N 3.21Å
21C73.3Confident72.3Confident72 Ų7298.7 Ų98.749%0.48649%0.493SS..Hα-helixtrans-63.8-41.5175.3-67.80000112.9R17 G18 Y19 I24 L25R17-C21 PolarHBondContact O-N 2.87Å; R17-C21 VanDerWaalsContact O-N 3.14Å; R17-C21 PolarHBondContact O-SG 3.01Å; R17-C21 VanDerWaalsContact O-SG 3.39Å; G18-C21 PolarHBondContact O-N 3.34Å; Y19-C21 PolarHBondContact O-N 3.1Å; C21-I24 PolarHBondContact O-N 3.06Å; C21-L25 WeakPolarHBondContact O-CG 3.31Å; C21-L25 PolarHBondContact O-N 3.01Å
22F74.8Confident72.6Confident129 Ų12997.5 Ų97.557%0.56649%0.488SS*.Hα-helixtrans-65.2-45.4179.1-176.4-99000112.1G18 Y19 I24 L25 V26G18-F22 PolarHBondContact O-N 2.95Å; Y19-F22 PolarHBondContact O-N 3.24Å; F22-I24 VanDerWaalsContact C-N 3.31Å; F22-I24 PolarHBondContact O-N 2.87Å; F22-L25 PolarHBondContact O-N 3.03Å; F22-V26 HydrophobicContact CD1-CG2 4.13Å; F22-V26 HydrophobicContact CE1-CG2 3.73Å; F22-V26 HydrophobicContact CE2-CG2 4.38Å; F22-V26 HydrophobicContact CZ-CG2 3.87Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 3.13Å
23V74.2Confident72.5Confident31 Ų3197.4 Ų97.419%0.18849%0.491CS..Hα-helixtrans-62.3-40.6176.5173.40000110.8Y19 L25 V26 V27Y19-V23 HydrophobicContact CD1-CG2 4Å; Y19-V23 HydrophobicContact CE1-CG2 3.8Å; Y19-V23 WeakPolarHBondContact O-CG2 3.44Å; Y19-V23 PolarHBondContact O-N 3.25Å; V23-L25 PolarHBondContact O-N 3.48Å; V23-V26 PolarHBondContact O-N 2.96Å; V23-V27 HydrophobicContact CG1-CG2 4.39Å; V23-V27 WeakPolarHBondContact O-CB 3.48Å; V23-V27 VanDerWaalsContact O-CG2 3.29Å; V23-V27 WeakPolarHBondContact O-CG2 3.43Å; V23-V27 PolarHBondContact O-N 3.5Å
24I75.7Confident72Confident59 Ų5997.1 Ų97.130%0.30349%0.493SS..Hα-helixtrans-61.4-44.3175.1-69.4164.2000110.9S20 C21 F22 V27 F28 F260S20-I24 WeakPolarHBondContact O-CB 3.47Å; S20-I24 WeakPolarHBondContact O-CD1 3.46Å; S20-I24 WeakPolarHBondContact O-CG1 3.49Å; S20-I24 PolarHBondContact O-N 3.21Å; C21-I24 PolarHBondContact O-N 3.06Å; F22-I24 VanDerWaalsContact C-N 3.31Å; F22-I24 PolarHBondContact O-N 2.87Å; I24-V27 PolarHBondContact O-N 3.4Å; I24-F28 VanDerWaalsContact O-CB 3.27Å; I24-F28 WeakPolarHBondContact O-CB 3.43Å; I24-F28 PolarHBondContact O-N 3.47Å; I24-F260 HydrophobicContact CD1-CE1 4.43Å; I24-F260 HydrophobicContact CD1-CE2 4.12Å; I24-F260 HydrophobicContact CD1-CZ 3.94Å
25L76.4Confident71.4Confident105 Ų10591.1 Ų91.155%0.5548%0.48SS..Hα-helixtrans-64.9-41.5178.4-73.1173.9000112.5C21 F22 V23 F28 H29C21-L25 WeakPolarHBondContact O-CG 3.31Å; C21-L25 PolarHBondContact O-N 3.01Å; F22-L25 PolarHBondContact O-N 3.03Å; V23-L25 PolarHBondContact O-N 3.48Å; L25-F28 PolarHBondContact O-N 3.47Å; L25-H29 PolarHBondContact O-CD2 2.82Å; L25-H29 PolarHBondContact O-N 2.87Å
26V77.9Confident70.9Confident57 Ų5790.7 Ų90.735%0.34548%0.481SS..Hα-helixtrans-63.8-44.4176.7172.60000110.8F22 V23 H29 L30F22-V26 HydrophobicContact CD1-CG2 4.13Å; F22-V26 HydrophobicContact CE1-CG2 3.73Å; F22-V26 HydrophobicContact CE2-CG2 4.38Å; F22-V26 HydrophobicContact CZ-CG2 3.87Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 3.13Å; V23-V26 PolarHBondContact O-N 2.96Å; V26-H29 PolarHBondContact O-N 3.2Å; V26-L30 HydrophobicContact CG1-CD1 4.06Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 3.35Å
27V75.1Confident70.1Confident37 Ų3788.7 Ų88.722%0.22448%0.479CS..Hα-helixtrans-66.8-39.5176.9175.60000111.2V23 I24 H29 L30 V31 L257V23-V27 HydrophobicContact CG1-CG2 4.39Å; V23-V27 WeakPolarHBondContact O-CB 3.48Å; V23-V27 VanDerWaalsContact O-CG2 3.29Å; V23-V27 WeakPolarHBondContact O-CG2 3.43Å; V23-V27 PolarHBondContact O-N 3.5Å; I24-V27 PolarHBondContact O-N 3.4Å; V27-H29 VanDerWaalsContact C-N 3.35Å; V27-H29 PolarHBondContact O-N 3.1Å; V27-L30 PolarHBondContact O-N 3.11Å; V27-V31 HydrophobicContact CG1-CG2 4.09Å; V27-V31 VanDerWaalsContact O-CG2 3.31Å; V27-V31 WeakPolarHBondContact O-CG2 3.31Å; V27-V31 PolarHBondContact O-N 3.11Å; V27-L257 HydrophobicContact CG1-CD1 3.69Å; V27-L257 HydrophobicContact CG1-CD2 4.34Å
28F77Confident69.4Low111 Ų11183.2 Ų83.249%0.48747%0.471SS..Hα-helixtrans-61.8-44176.6-156-95.5000110.9I24 L25 L30 V31 F32I24-F28 VanDerWaalsContact O-CB 3.27Å; I24-F28 WeakPolarHBondContact O-CB 3.43Å; I24-F28 PolarHBondContact O-N 3.47Å; L25-F28 PolarHBondContact O-N 3.47Å; F28-L30 PolarHBondContact O-N 3.05Å; F28-V31 PolarHBondContact O-N 3.38Å; F28-F32 AromaticContact CD1-CD2 3.54Å; F28-F32 HydrophobicContact CD1-CD2 3.54Å; F28-F32 AromaticContact CD1-CE2 3.68Å; F28-F32 HydrophobicContact CD1-CE2 3.68Å; F28-F32 HydrophobicContact CD2-CD2 4.46Å; F28-F32 HydrophobicContact CD2-CE2 4.17Å; F28-F32 AromaticContact CE1-CD2 3.44Å; F28-F32 HydrophobicContact CE1-CD2 3.44Å; F28-F32 VanDerWaalsContact CE1-CD2 3.44Å; F28-F32 AromaticContact CE1-CE2 3.09Å; F28-F32 HydrophobicContact CE1-CE2 3.09Å; F28-F32 HydrophobicContact CE1-CG 4.39Å; F28-F32 AromaticContact CE1-CZ 3.8Å; F28-F32 HydrophobicContact CE1-CZ 3.8Å; F28-F32 HydrophobicContact CE2-CD2 4.38Å; F28-F32 AromaticContact CE2-CE2 3.67Å; F28-F32 HydrophobicContact CE2-CE2 3.67Å; F28-F32 HydrophobicContact CG-CD2 4.09Å; F28-F32 HydrophobicContact CG-CE2 4.19Å; F28-F32 AromaticContact CZ-CD2 3.9Å; F28-F32 HydrophobicContact CZ-CD2 3.9Å; F28-F32 AromaticContact CZ-CE2 3.11Å; F28-F32 HydrophobicContact CZ-CE2 3.11Å; F28-F32 AromaticContact CZ-CZ 3.74Å; F28-F32 HydrophobicContact CZ-CZ 3.74Å; F28-F32 WeakPolarHBondContact O-CB 3.42Å; F28-F32 WeakPolarHBondContact O-CD2 3.46Å; F28-F32 PolarHBondContact O-N 2.93Å
29H76.2Confident68.6Low143 Ų14384.3 Ų84.366%0.66248%0.475SS*.Hα-helixtrans-63.9-38.4174.2-86.4-64.7000113.2L25 V26 V27 G33L25-H29 PolarHBondContact O-CD2 2.82Å; L25-H29 PolarHBondContact O-N 2.87Å; V26-H29 PolarHBondContact O-N 3.2Å; V27-H29 VanDerWaalsContact C-N 3.35Å; V27-H29 PolarHBondContact O-N 3.1Å; H29-G33 PolarHBondContact O-N 2.83Å
30L75.1Confident67.6Low99 Ų9988.2 Ų88.252%0.51849%0.494SS..Hα-helixtrans-66.7-42.1175.6-77.2166.5000112.2V26 V27 F28 G33 L34V26-L30 HydrophobicContact CG1-CD1 4.06Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 3.35Å; V27-L30 PolarHBondContact O-N 3.11Å; F28-L30 PolarHBondContact O-N 3.05Å; L30-G33 PolarHBondContact O-N 3.2Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.41Å; L30-L34 PolarHBondContact O-N 3.35Å
31V73.1Confident66.3Low86 Ų8694.4 Ų94.452%0.52152%0.515SS..Hα-helixtrans-69.2-42.8179.6173.10000111.3V27 F28 L34 S35V27-V31 HydrophobicContact CG1-CG2 4.09Å; V27-V31 VanDerWaalsContact O-CG2 3.31Å; V27-V31 WeakPolarHBondContact O-CG2 3.31Å; V27-V31 PolarHBondContact O-N 3.11Å; F28-V31 PolarHBondContact O-N 3.38Å; V31-L34 PolarHBondContact O-N 3.32Å; V31-S35 PolarHBondContact O-N 3.42Å
32F73.7Confident65.3Low106 Ų10694.2 Ų94.247%0.46552%0.519SS..Hα-helixtrans-67.7-37.9175.5-88.2-93.8000112.3F28 L34 S35 E36F28-F32 AromaticContact CD1-CD2 3.54Å; F28-F32 HydrophobicContact CD1-CD2 3.54Å; F28-F32 AromaticContact CD1-CE2 3.68Å; F28-F32 HydrophobicContact CD1-CE2 3.68Å; F28-F32 HydrophobicContact CD2-CD2 4.46Å; F28-F32 HydrophobicContact CD2-CE2 4.17Å; F28-F32 AromaticContact CE1-CD2 3.44Å; F28-F32 HydrophobicContact CE1-CD2 3.44Å; F28-F32 VanDerWaalsContact CE1-CD2 3.44Å; F28-F32 AromaticContact CE1-CE2 3.09Å; F28-F32 HydrophobicContact CE1-CE2 3.09Å; F28-F32 HydrophobicContact CE1-CG 4.39Å; F28-F32 AromaticContact CE1-CZ 3.8Å; F28-F32 HydrophobicContact CE1-CZ 3.8Å; F28-F32 HydrophobicContact CE2-CD2 4.38Å; F28-F32 AromaticContact CE2-CE2 3.67Å; F28-F32 HydrophobicContact CE2-CE2 3.67Å; F28-F32 HydrophobicContact CG-CD2 4.09Å; F28-F32 HydrophobicContact CG-CE2 4.19Å; F28-F32 AromaticContact CZ-CD2 3.9Å; F28-F32 HydrophobicContact CZ-CD2 3.9Å; F28-F32 AromaticContact CZ-CE2 3.11Å; F28-F32 HydrophobicContact CZ-CE2 3.11Å; F28-F32 AromaticContact CZ-CZ 3.74Å; F28-F32 HydrophobicContact CZ-CZ 3.74Å; F28-F32 WeakPolarHBondContact O-CB 3.42Å; F28-F32 WeakPolarHBondContact O-CD2 3.46Å; F28-F32 PolarHBondContact O-N 2.93Å; F32-L34 VanDerWaalsContact C-N 3.28Å; F32-L34 PolarHBondContact O-N 3.18Å; F32-S35 PolarHBondContact O-N 3.07Å; F32-S35 PolarHBondContact O-OG 2.94Å; F32-E36 PolarHBondContact O-N 3.11Å
33G67.4Low64.1Low48 Ų4894 Ų9450%0.49553%0.527SS..Hα-helixtrans-62.6-33.8173.700000113.1H29 L30H29-G33 PolarHBondContact O-N 2.83Å; L30-G33 PolarHBondContact O-N 3.2Å
34L59.4Low62.9Low130 Ų130100 Ų10068%0.68156%0.559SS**Hα-helixtrans-77.5-34175.4-73172.9000113L30 V31 F32 G37 S38L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.41Å; L30-L34 PolarHBondContact O-N 3.35Å; V31-L34 PolarHBondContact O-N 3.32Å; F32-L34 VanDerWaalsContact C-N 3.28Å; F32-L34 PolarHBondContact O-N 3.18Å; L34-G37 PolarHBondContact O-N 2.84Å; L34-S38 PolarHBondContact O-N 3.11Å; L34-S38 VanDerWaalsContact O-N 3.13Å
35S58.3Low61.7Low61 Ų61104.6 Ų104.643%0.42758%0.583SS.*Hα-helixtrans-71.2-33.4179.381.50000112.8V31 F32 G37 S38 A39V31-S35 PolarHBondContact O-N 3.42Å; F32-S35 PolarHBondContact O-N 3.07Å; F32-S35 PolarHBondContact O-OG 2.94Å; S35-G37 PolarHBondContact O-N 3.36Å; S35-S38 PolarHBondContact O-N 3.18Å; S35-A39 WeakPolarHBondContact O-CB 3.29Å; S35-A39 PolarHBondContact O-N 3.25Å
36E55Low60.3Low146 Ų146108.6 Ų108.668%0.68260%0.599SS**Hα-helixtrans-65.9-26.6173.5-73.7-175.6175.300112.7F32F32-E36 PolarHBondContact O-N 3.11Å
37G50.7Low58.6Low50 Ų50113 Ų11352%0.51562%0.621SS.*Hα-helixtrans-76.5-40.5172.800000113.3L34 S35L34-G37 PolarHBondContact O-N 2.84Å; S35-G37 PolarHBondContact O-N 3.36Å
38S54.6Low57Low83 Ų83118.7 Ų118.758%0.5865%0.65SS**Hα-helixtrans-80.7-27.8-175.8-1600000113.8L34 S35 K40 F41L34-S38 PolarHBondContact O-N 3.11Å; L34-S38 VanDerWaalsContact O-N 3.13Å; S35-S38 PolarHBondContact O-N 3.18Å; S38-K40 PolarHBondContact O-N 3.25Å; S38-F41 PolarHBondContact O-N 3.22Å
39A51.9Low55.8Low63 Ų63122.9 Ų122.952%0.52167%0.671SS.*THydrogen-bonded Turntrans-66.3-18.7-179.400000113.6S35S35-A39 WeakPolarHBondContact O-CB 3.29Å; S35-A39 PolarHBondContact O-N 3.25Å
40K48.6Very low54.4Low185 Ų185126.2 Ų126.280%0.80468%0.684SS**THydrogen-bonded Turntrans-83.5-12.7177.1-68.7-176.4-179.5175.30114.2S38S38-K40 PolarHBondContact O-N 3.25Å
41F45Very low53.1Low182 Ų182126.7 Ų126.780%0.79870%0.702SS**THydrogen-bonded Turntrans-108.2-14.3-177.7-109.6-87000114.1S38S38-F41 PolarHBondContact O-N 3.22Å
42A51Low51.8Low68 Ų68131.1 Ų131.156%0.56272%0.717SS**SBendtrans-91.1-2.8-172.800000115
43V49.3Very low50.4Low123 Ų123135.4 Ų135.475%0.74574%0.736SS**THydrogen-bonded Turntrans-86.8-10.6-171.3179.50000113.5
44D48.7Very low49.1Very low159 Ų159141.1 Ų141.185%0.8575%0.749SS**THydrogen-bonded Turntrans-10810.1-172.3-90.9-17.9000115.9
45L51.7Low48.2Very low155 Ų155142.9 Ų142.981%0.81275%0.754SS**SBendtrans-123.14.3-170.3-108.5122.4000117.3
46E47.5Very low47.3Very low189 Ų189149.4 Ų149.488%0.88378%0.775SS**SBendtrans-112.64-176.3-83.2-174.3169.500116.1
47D42.3Very low46.5Very low150 Ų150148.3 Ų148.380%0.80277%0.774SS**SBendtrans-110.7123174.3-81.5-26.5000111.1
48N41.6Very low46Very low156 Ų156151.6 Ų151.683%0.83478%0.784SS**SBendtrans98.390.3172.1-50.3-35.3000116.6
49E51.9Low45.2Very low199 Ų199154.8 Ų154.893%0.9379%0.794SS**SBendtrans-174.7-3.9132-120.8176.9150.900118
50F45.6Very low44.6Very low212 Ų212160.4 Ų160.493%0.9381%0.81SS**SBendtrans-12612.7-168.8-155.5-103.2000117.8
51A48.4Very low44.1Very low109 Ų109158.6 Ų158.690%0.90181%0.809SS**  trans-107.813.5-172.700000116.1
52E45Very low43.8Very low180 Ų180158 Ų15884%0.84181%0.814SS**  trans-112.375.1-176.2-155.4173.7-151.600111.6
53F45.1Very low43Very low195 Ų195161 Ų16186%0.85582%0.82SS**  trans-141.993.4154.9-93.2-76.6000109.7
54E40Very low42.4Very low168 Ų168164.1 Ų164.179%0.78583%0.826SS**  trans38.393.7136-71.1-178.2146.200118.4
55E40.4Very low41.7Very low168 Ų168165.7 Ų165.779%0.78583%0.825SS**  1.4110.3110.8-161170-144.500115.9
56F38.6Very low40.8Very low197 Ų197162.1 Ų162.186%0.86483%0.826SS**  trans-138.193.1151.5-138.6-88.3000108.6
57D39.2Very low40.2Very low123 Ų123157.9 Ų157.966%0.65882%0.824SS**  trans-58.4136.2164.4-81.4-36.2000111
58V39.4Very low39.8Very low119 Ų119158.8 Ų158.872%0.72182%0.82SS**  trans-149.897.3137.9-169.60000109.1
59D38.4Very low39.5Very low150 Ų150161 Ų16180%0.80282%0.817SS**  trans-65.1129.6151.2-80.2-43.5000109.4
60Q39.4Very low38.7Very low182 Ų182159.3 Ų159.385%0.8581%0.811SS**  trans-159.7123.2145.5-121.3167.959.300113
61D38.1Very low38.4Very low147 Ų147160.4 Ų160.479%0.78681%0.811SS**  trans-33.2152.4164.3-65.9-60.3000115.7
62L38.8Very low37.8Very low170 Ų170158.3 Ų158.389%0.8980%0.799SS**  -180110.6116.7-89.6163.5000112.7
63N32.7Very low37.2Very low130 Ų130156.8 Ų156.870%0.69580%0.797SS**  trans-48126.3158.9-178.722.8000113.4
64H38.2Very low37Very low188 Ų188153 Ų15387%0.8780%0.795SS**  trans-154.9106.2141.2-114.6-1.7000114.7
65K34.2Very low36.9Very low192 Ų192150.2 Ų150.284%0.83579%0.794SS**  trans-65.9136.8155.1-70.6171.2172.11720110.3
66G32Very low36.7Very low81 Ų81148 Ų14884%0.83579%0.794SS**  trans106.799.7138.200000118.5
67A35.2Very low36.7Very low100 Ų100147.1 Ų147.183%0.82680%0.798SS**  trans-17290.5137.900000108.4
68K34.6Very low36.6Very low169 Ų169146.4 Ų146.474%0.73580%0.8SS**  57.8120.792.5-110.7-172.7178.4166.10115.8
69R35.2Very low36.5Very low202 Ų202145.8 Ų145.876%0.76280%0.796SS**  trans75.3144.5140.9-74.7173.7-179.5-169-2.1116.8
70M34.4Very low36.6Very low163 Ų163147.6 Ų147.680%0.80380%0.8SS**  cis-179.9148.1-7.2-127.2175.4156.200103.8
71Y39.5Very low36.6Very low236 Ų236142.1 Ų142.193%0.92579%0.792SS**  trans150.1111.5152.4-88.6-70.6000106.4
72G35.8Very low36.8Very low64 Ų64141.3 Ų141.366%0.6680%0.795SS**  cis86.671.824.900000109.7
73D32.2Very low36.8Very low149 Ų149138.7 Ų138.780%0.79779%0.788SS**  76.8114108.1-167.121.5000115.2
74S40.4Very low37.3Very low116 Ų116140.9 Ų140.981%0.81180%0.799SS**  trans-176.4106.3142.718.30000112.7
75S37.2Very low37.3Very low109 Ų109137.6 Ų137.676%0.76279%0.792SS**  trans21.5145.4141.6-55.60000124.2
76P36.7Very low37.6Very low122 Ų122136 Ų13679%0.79279%0.793SS**  trans-98.8160.1179.539.6-31.8000113.9
77L39.2Very low38Very low178 Ų178139.6 Ų139.693%0.93279%0.792SS**  trans-142.2143.8169.3-100.9137.4000112.7
78P36.5Very low38.3Very low108 Ų108140.1 Ų140.170%0.70179%0.787SS**  trans-122.9173.1-165.737.4-18.8000116
79T37.4Very low38.6Very low106 Ų106137.1 Ų137.165%0.6579%0.794SS**  trans96.7141.8142.8-19.80000121.3
80H41.1Very low38.6Very low188 Ų188131.5 Ų131.587%0.8780%0.799SS**  trans88.6130.6164.5-58.1-74.1000117.1
81G39.1Very low38.5Very low67 Ų67127.2 Ų127.269%0.69180%0.797SS**  cis-176.8-173.912.600000109.7
82P42Very low38.4Very low130 Ų130125.6 Ų125.684%0.84480%0.795SS**  -125.5-153-116.748.3-35.4000114.4
83P39.2Very low38.5Very low114 Ų114129.6 Ų129.674%0.7480%0.796SS**  -114.4166.4-123.330.8-8000115
84L43.6Very low38.8Very low177 Ų177133.4 Ų133.493%0.92780%0.801SS**  trans-138.3128.6163.6-75.5175.5000112.2
85T36.9Very low38.5Very low118 Ų118135.1 Ų135.172%0.72480%0.796SS**  trans-75.9146.8172.146.20000111.1
86D40.8Very low38.5Very low160 Ų160138.6 Ų138.686%0.85680%0.8SS**  -177.8134.4118-88.5-10.7000111.4
87N40.5Very low38.4Very low155 Ų155139.2 Ų139.283%0.82980%0.796SS**  trans-108.1-172.8179.6-130.43.8000106.4
88P43.1Very low38Very low111 Ų111140.5 Ų140.572%0.72180%0.795SS**  -129.6164.5-57.131.7-13.6000111.5
89A39.8Very low37.9Very low107 Ų107141 Ų14188%0.88480%0.796SS**  trans-172.1133.3156.100000114
90G35.6Very low37.8Very low84 Ų84141 Ų14187%0.86680%0.8SS**  trans83107.9157.100000114.9
91G32.7Very low37.5Very low73 Ų73141.5 Ų141.575%0.75380%0.803SS**  cis95.8101.339.200000109.1
92K37Very low37.3Very low202 Ų202143.1 Ų143.188%0.87880%0.804SS**  trans-174.6113.3145.1-101.4165.7-170.1-171.40112
93H37.3Very low37Very low147 Ų147145.2 Ų145.268%0.68180%0.802SS**  trans-36.2142.2159.9-110.7-109.7000114.8E95H93-E95 IonicContact CE1-OE2 3.99Å; H93-E95 PolarHBondContact CE1-OE2 2.92Å; H93-E95 IonicContact ND1-OE2 3.84Å
94Y39Very low36.9Very low230 Ų230146.6 Ų146.690%0.90280%0.803SS**  trans-140104.9137-74.3-76.1000108.2
95E34.8Very low36.7Very low151 Ų151148.4 Ų148.471%0.70680%0.799SS**  trans-89.2171.3153.6-112.6175.5151.800107.5H93H93-E95 IonicContact CE1-OE2 3.99Å; H93-E95 PolarHBondContact CE1-OE2 2.92Å; H93-E95 IonicContact ND1-OE2 3.84Å
96E36.5Very low36.7Very low183 Ų183145.4 Ų145.486%0.85579%0.792SS**  trans94.6121.9-171.4-62173.1169.900112.1
97D34.3Very low36.2Very low134 Ų134145.2 Ų145.272%0.71779%0.789SS**  cis-156.9138.131-136.1-17.5000112.3
98K31.4Very low36.2Very low205 Ų205143.1 Ų143.189%0.89178%0.782SS**  trans-100.4116.6163.3-90.6-177176.2176.90106.6
99T34.6Very low35.8Very low118 Ų118146 Ų14672%0.72479%0.786SS**  trans-154.1100.616416.50000105.4
100S33.7Very low35.7Very low106 Ų106146.8 Ų146.874%0.74178%0.775SS**  56.785.280.2-179.90000112.3
101E36.6Very low35.9Very low200 Ų200151.8 Ų151.894%0.93578%0.776SS**  trans-135.699.4145.7-85-177.5171.300107.9
102S33.6Very low36.4Very low101 Ų101157.6 Ų157.671%0.70678%0.781SS**  trans-72.1135.8153.747.90000109
103E35.8Very low36.5Very low174 Ų174150.8 Ų150.881%0.81377%0.768SS**  trans-178.299154.8-101.7167.6-145.800104.2
104D37.6Very low36.4Very low143 Ų143152.2 Ų152.277%0.76578%0.78SS**  51.881.973.3-167.535.2000113.1
105Y38.4Very low36.6Very low214 Ų214149.9 Ų149.984%0.83978%0.778SS**  trans-156.2124.7141.4-74.8-78.7000103
106G37.6Very low36.9Very low55 Ų55151.6 Ų151.657%0.56778%0.784SS**  cis133.111940.700000103.3V108G106-V108 PolarHBondContact O-N 3.08Å
107I31.2Very low37Very low156 Ų156147.6 Ų147.680%0.878%0.775SS**  trans-44.5123.6171.8-85.8162.5000109E109I107-E109 HydrophobicContact CG2-CG 3.77Å
108V39.4Very low37.3Very low112 Ų112146.5 Ų146.568%0.67978%0.778SS**  trans-101.896.2160.9-167.90000105.2G106 D110G106-V108 PolarHBondContact O-N 3.08Å; V108-D110 VanDerWaalsContact C-N 3.28Å; V108-D110 VanDerWaalsContact CG1-OD1 3.3Å; V108-D110 WeakPolarHBondContact CG1-OD1 3.48Å; V108-D110 PolarHBondContact O-N 3.37Å
109E35Very low37.7Very low170 Ų170142.1 Ų142.179%0.79477%0.769SS**  trans-66.494.8153.9-76.2174.8159.700106.1I107 E111I107-E109 HydrophobicContact CG2-CG 3.77Å; E109-E111 PolarHBondContact O-N 3.36Å
110D38.2Very low37.8Very low124 Ų124139 Ų13966%0.66376%0.759SS**  trans-8992.7161.1-78.4-29.2000107.4V108 F112V108-D110 VanDerWaalsContact C-N 3.28Å; V108-D110 VanDerWaalsContact CG1-OD1 3.3Å; V108-D110 WeakPolarHBondContact CG1-OD1 3.48Å; V108-D110 PolarHBondContact O-N 3.37Å; D110-F112 VanDerWaalsContact C-N 3.29Å; D110-F112 PolarHBondContact O-N 2.8Å
111E39.2Very low38.2Very low190 Ų190141.4 Ų141.489%0.88876%0.764SS**  trans-48.288.9158.1-169174.4-168.200109.4E109 G113E109-E111 PolarHBondContact O-N 3.36Å; E111-G113 VanDerWaalsContact C-N 3.34Å; E111-G113 PolarHBondContact O-N 3.03Å; E111-G113 VanDerWaalsContact O-N 3.07Å
112F43.4Very low38.4Very low194 Ų194140.9 Ų140.985%0.85176%0.762SS**  trans-73.695.5163.3-93.9-88.9000108.6D110D110-F112 VanDerWaalsContact C-N 3.29Å; D110-F112 PolarHBondContact O-N 2.8Å
113G38.5Very low38.9Very low59 Ų59140.1 Ų140.161%0.60876%0.762SS**  trans30.495.9141.200000116.8E111 E115E111-G113 VanDerWaalsContact C-N 3.34Å; E111-G113 PolarHBondContact O-N 3.03Å; E111-G113 VanDerWaalsContact O-N 3.07Å; G113-E115 VanDerWaalsContact C-N 3.29Å; G113-E115 PolarHBondContact O-N 2.85Å
114D34.9Very low39.4Very low177 Ų177140.7 Ų140.795%0.94776%0.764SS**  trans-5692.8150.5-87.6-30.6000109.5
115E44.2Very low39.4Very low182 Ų182142.2 Ų142.285%0.8577%0.765SS**  trans-139.364.2167.5-152.6174.8-15800110G113G113-E115 VanDerWaalsContact C-N 3.29Å; G113-E115 PolarHBondContact O-N 2.85Å
116F40.8Very low39.6Very low187 Ų187137.8 Ų137.882%0.8276%0.759SS**  trans-131.982.3147.4-161-101.7000108.4V119F116-V119 HydrophobicContact CE1-CG2 4.27Å; F116-V119 HydrophobicContact CZ-CG2 4.04Å
117S38.9Very low39.8Very low98 Ų98142.5 Ų142.569%0.68577%0.772SS**  trans-58.1133.9168.752.60000110.7V119S117-V119 PolarHBondContact O-N 3.31Å
118S40.6Very low40.1Very low111 Ų111139.5 Ų139.578%0.77677%0.77SS**  trans-21.5111.6162.41770000114.1G120S118-G120 PolarHBondContact O-N 3.2Å
119V39.9Very low40.2Very low114 Ų114141.9 Ų141.969%0.69178%0.778SS**  trans-70.788.1154.7179.50000106.4F116 S117F116-V119 HydrophobicContact CE1-CG2 4.27Å; F116-V119 HydrophobicContact CZ-CG2 4.04Å; S117-V119 PolarHBondContact O-N 3.31Å
120G36.6Very low40.7Very low51 Ų51140.9 Ų140.953%0.52678%0.778SS.*  trans-113.172.616600000108.3S118 Q122S118-G120 PolarHBondContact O-N 3.2Å; G120-Q122 PolarHBondContact O-N 2.99Å; G120-Q122 VanDerWaalsContact O-N 3.13Å
121D41.1Very low41.1Very low158 Ų158139.6 Ų139.685%0.84578%0.779SS**  trans-76.399.7167.7-88.3-16.4000109
122Q41.8Very low41.3Very low188 Ų188140.8 Ų140.888%0.87978%0.781SS**  trans-69.3124.5154.2-65.7174.81800108.8G120G120-Q122 PolarHBondContact O-N 2.99Å; G120-Q122 VanDerWaalsContact O-N 3.13Å
123A43Very low41.3Very low86 Ų86135 Ų13571%0.71178%0.777SS**  trans-157.797.1148.300000106.4
124E47Very low41.3Very low186 Ų186136.9 Ų136.987%0.86979%0.786SS**  63.895.298.7-71.7-167.2156.400111.4
125F37.6Very low41.6Very low175 Ų175140 Ų14077%0.76879%0.785SS**  69.5107.683.5-170.1-90.3000113.3
126V41.8Very low41.5Very low120 Ų120140.9 Ų140.973%0.72779%0.786SS**  trans177.6118.7141.7-87.20000104.7
127D43.1Very low41.4Very low155 Ų155138.1 Ų138.183%0.82978%0.784SS**  -165.5122.670.7-100.5-28000109.1
128A38.1Very low41.5Very low93 Ų93145 Ų14577%0.76980%0.795SS**  trans-168.976148.300000109.7
129L40.9Very low41.6Very low162 Ų162148.6 Ų148.685%0.84880%0.797SS**  trans-133.7106.5157-83.9169.9000107.6
130D45.7Very low41.8Very low149 Ų149149.7 Ų149.780%0.79780%0.799SS**  trans-146.3114.9142.8-126.1-18.7000112.9
131S46.4Very low42.4Very low97 Ų97153 Ų15368%0.67881%0.814SS**  trans56.9102.3132.8-63.20000120.6
132K42.9Very low42.9Very low215 Ų215151.9 Ų151.994%0.93581%0.813SS**  14.5121.8127.8-73.3175.2173.9171.90116.6
133G42.7Very low43.5Very low73 Ų73148.8 Ų148.875%0.75381%0.809SS**  trans155.1101.4147.400000117.1
134A40.2Very low44.1Very low98 Ų98150.7 Ų150.781%0.8181%0.812SS**  trans60.192.4140.500000120.3
135R39.9Very low44.7Very low243 Ų243150 Ų15092%0.91781%0.813SS**  50.3102.5110.2-156.9-179.6-160.8174.55117.6
136K42.9Very low45.6Very low199 Ų199151 Ų15187%0.86582%0.817SS**  -174106.9127.6-103.2168.1-175.3179.20113.5
137T39Very low46.5Very low130 Ų130152.7 Ų152.780%0.79882%0.82SS**  trans-10.8128.615249.20000120.8
138R40.4Very low47.1Very low242 Ų242149.2 Ų149.291%0.91381%0.813SS**  172.3100.3126.3-97.2175.7177-175.7-1.4108.9
139K43.2Very low48.1Very low186 Ų186152 Ų15281%0.80982%0.815SS**  45.4100.998.4-97.3-169.4176.3-175.90114.5
140D44.5Very low49Very low138 Ų138150.5 Ų150.574%0.73881%0.813SS**  161.3152.798.4-81-28.2000112.7
141S47.9Very low49.3Very low119 Ų119147.6 Ų147.683%0.83280%0.802SS**  trans83.5112.8169.571.70000119.5
142V52.1Low49.9Very low136 Ų136148 Ų14882%0.82481%0.811SS**PPolyproline II helixtrans-73.9127.4172.2178.50000109.4
143P55Low50.4Low123 Ų123144.7 Ų144.780%0.79980%0.799SS**PPolyproline II helixtrans-88.3120.5166.820.5-8000110.5
144T54.4Low51Low125 Ų125149.3 Ų149.377%0.76781%0.805SS**PPolyproline II helixtrans-51.3134.6174.8-34.70000112.9K146T144-K146 PolarHBondContact O-N 3.29Å
145L61Low51.7Low171 Ų171151.2 Ų151.290%0.89580%0.795SS**  trans-58.1102.8166-86.6133.1000109.6I147L145-I147 PolarHBondContact O-N 3.31Å
146K55.8Low52.7Low196 Ų196145.8 Ų145.885%0.85278%0.78SS**  trans-81.9106.1162.7-78.6-177175.2-179.80107.4T144 A148T144-K146 PolarHBondContact O-N 3.29Å; K146-A148 PolarHBondContact O-N 2.89Å; K146-A148 VanDerWaalsContact O-N 3.15Å
147I60.8Low54Low156 Ų156147 Ų14780%0.878%0.779SS**  trans-55.5117.6161.6-66.6161.4000105.8L145 D149L145-I147 PolarHBondContact O-N 3.31Å; I147-D149 PolarHBondContact O-N 2.99Å
148A55.8Low55.5Low82 Ų82147.3 Ų147.368%0.67877%0.772SS**  trans-65.3118.317200000107.3K146 V150K146-A148 PolarHBondContact O-N 2.89Å; K146-A148 VanDerWaalsContact O-N 3.15Å; A148-V150 PolarHBondContact O-N 3.47Å
149D58.5Low57Low151 Ų151140.6 Ų140.681%0.80775%0.754SS**  trans-54.7105.9166.8-84-36.6000107.5I147 P151I147-D149 PolarHBondContact O-N 2.99Å; D149-P151 WeakPolarHBondContact O-CD 3.49Å; D149-P151 VanDerWaalsContact O-N 3.14Å
150V58.9Low58.8Low132 Ų132136.3 Ų136.380%0.873%0.733SS**  trans-61.2116171.2-176.50000105.4A148 A152A148-V150 PolarHBondContact O-N 3.47Å; V150-A152 PolarHBondContact O-N 2.86Å
151P53.7Low60.7Low87 Ų87132.9 Ų132.957%0.56572%0.72SS**  trans-63.5109.9179.4-22.335.8000107.6D149 Q153D149-P151 WeakPolarHBondContact O-CD 3.49Å; D149-P151 VanDerWaalsContact O-N 3.14Å; P151-Q153 HydrophobicContact CB-CG 3.38Å; P151-Q153 VanDerWaalsContact CB-NE2 3.27Å; P151-Q153 PolarHBondContact O-N 2.89Å
152A58.4Low62.5Low105 Ų105131.8 Ų131.887%0.86871%0.708SS**  trans-68.862.1164.300000108.2V150 L154V150-A152 PolarHBondContact O-N 2.86Å; A152-L154 PolarHBondContact O-N 3.5Å
153Q53.3Low64.3Low147 Ų147130.5 Ų130.569%0.68769%0.693SS**  trans-79.4103.7171.1-36.1-166.4-4.100104.2P151 K155P151-Q153 HydrophobicContact CB-CG 3.38Å; P151-Q153 VanDerWaalsContact CB-NE2 3.27Å; P151-Q153 PolarHBondContact O-N 2.89Å; Q153-K155 PolarHBondContact O-N 3.11Å
154L55.7Low65.9Low170 Ų170129.6 Ų129.689%0.8968%0.681SS**  trans-45.698.7148.7-77.1159.8000105.5A152 H156A152-L154 PolarHBondContact O-N 3.5Å; L154-H156 PolarHBondContact O-N 2.96Å
155K55.3Low67.6Low137 Ų137125.6 Ų125.660%0.59666%0.664SS**  trans-47.7132-179.8-80.7-177.9174.9-177.80107.2Q153 W157 D159 Y160Q153-K155 PolarHBondContact O-N 3.11Å; K155-W157 PolarHBondContact O-N 3.45Å; K155-D159 HydrophobicContact CB-CB 4.34Å; K155-D159 WeakPolarHBondContact CB-OD2 3.42Å; K155-Y160 HydrophobicContact CB-CE2 4.05Å; K155-Y160 WeakPolarHBondContact O-CE2 3.49Å
156H60.1Low69Low130 Ų130124.4 Ų124.460%0.60265%0.652SS**  trans-48.2137.1-170.4-147.6-49.4000108.8L154 H158 D159L154-H156 PolarHBondContact O-N 2.96Å; H156-H158 AromaticContact CE1-CD2 3.83Å; H156-H158 AromaticContact ND1-CD2 3.7Å; H156-H158 PolarHBondContact O-N 3.15Å; H156-D159 WeakPolarHBondContact O-CB 3.5Å; H156-D159 PolarHBondContact O-N 2.93Å
157W69.6Low70.8Confident223 Ų223119.5 Ų119.585%0.84563%0.634SS**THydrogen-bonded Turntrans-51.2-18.8178.7-71.782.9000114K155 Y160 S161K155-W157 PolarHBondContact O-N 3.45Å; W157-Y160 PolarHBondContact O-N 3.39Å; W157-S161 PolarHBondContact O-N 3.4Å
158H71Confident72.2Confident138 Ų138115.5 Ų115.564%0.63962%0.617SS**THydrogen-bonded Turntrans-64.9-32.9170.7-79.7-69000114.2H156 Y160 S161H156-H158 AromaticContact CE1-CD2 3.83Å; H156-H158 AromaticContact ND1-CD2 3.7Å; H156-H158 PolarHBondContact O-N 3.15Å; H158-Y160 PolarHBondContact O-N 3.28Å; H158-S161 WeakPolarHBondContact O-CB 3.46Å; H158-S161 PolarHBondContact O-N 2.91Å; H158-S161 VanDerWaalsContact O-N 3.1Å; H158-S161 PolarHBondContact O-OG 3.22Å
159D71.1Confident73.8Confident100 Ų100113.7 Ų113.754%0.53560%0.602SS.*THydrogen-bonded Turntrans-64.8-32.8175.4-67.8-7.8000110.7K155 H156 S161K155-D159 HydrophobicContact CB-CB 4.34Å; K155-D159 WeakPolarHBondContact CB-OD2 3.42Å; H156-D159 WeakPolarHBondContact O-CB 3.5Å; H156-D159 PolarHBondContact O-N 2.93Å; D159-S161 VanDerWaalsContact C-N 3.31Å; D159-S161 PolarHBondContact O-N 3.26Å
160Y81.8Confident75.4Confident96 Ų96112.1 Ų112.138%0.37659%0.593SS.*THydrogen-bonded Turntrans-84.63176-62.7-73.8000113.8K155 W157 H158 V162 E163 L164K155-Y160 HydrophobicContact CB-CE2 4.05Å; K155-Y160 WeakPolarHBondContact O-CE2 3.49Å; W157-Y160 PolarHBondContact O-N 3.39Å; H158-Y160 PolarHBondContact O-N 3.28Å; Y160-V162 VanDerWaalsContact C-N 3.28Å; Y160-V162 PolarHBondContact O-N 2.98Å; Y160-E163 HydrophobicContact CD1-CB 4.5Å; Y160-E163 HydrophobicContact CD1-CG 4.41Å; Y160-E163 WeakPolarHBondContact CD1-OE2 3.43Å; Y160-E163 PolarHBondContact O-N 2.9Å; Y160-L164 WeakPolarHBondContact O-CB 3.39Å; Y160-L164 PolarHBondContact O-N 3.33Å
161S83.9Confident77Confident66 Ų66110.5 Ų110.546%0.46258%0.579SS.*Hα-helixtrans-61.1-38.2-178.660.20000112.4W157 H158 D159 G165W157-S161 PolarHBondContact O-N 3.4Å; H158-S161 WeakPolarHBondContact O-CB 3.46Å; H158-S161 PolarHBondContact O-N 2.91Å; H158-S161 VanDerWaalsContact O-N 3.1Å; H158-S161 PolarHBondContact O-OG 3.22Å; D159-S161 VanDerWaalsContact C-N 3.31Å; D159-S161 PolarHBondContact O-N 3.26Å; S161-G165 PolarHBondContact O-N 3.14Å
162V86.9Confident78.7Confident96 Ų96108.9 Ų108.958%0.58257%0.566SS**Hα-helixtrans-68.5-44.3175176.70000110.7Y160 L164 G165 F166Y160-V162 VanDerWaalsContact C-N 3.28Å; Y160-V162 PolarHBondContact O-N 2.98Å; V162-L164 PolarHBondContact O-N 2.89Å; V162-G165 WeakPolarHBondContact O-CA 3.23Å; V162-G165 PolarHBondContact O-N 3.2Å; V162-G165 VanDerWaalsContact O-N 3.17Å; V162-F166 HydrophobicContact CG1-CD2 3.9Å; V162-F166 HydrophobicContact CG1-CE2 3.54Å; V162-F166 WeakPolarHBondContact O-CD2 3.12Å; V162-F166 PolarHBondContact O-N 3.21Å
163E88.5Confident80.3Confident109 Ų109108.9 Ų108.951%0.50954%0.544SS..Hα-helixtrans-62.4-42.6176.5-64.8-174.6-160.700112Y160 G165 F166 I167Y160-E163 HydrophobicContact CD1-CB 4.5Å; Y160-E163 HydrophobicContact CD1-CG 4.41Å; Y160-E163 WeakPolarHBondContact CD1-OE2 3.43Å; Y160-E163 PolarHBondContact O-N 2.9Å; E163-G165 VanDerWaalsContact C-N 3.3Å; E163-G165 PolarHBondContact O-N 3.07Å; E163-F166 WeakPolarHBondContact O-CB 3.44Å; E163-F166 PolarHBondContact O-N 3.03Å; E163-I167 WeakPolarHBondContact O-CG1 3.34Å; E163-I167 PolarHBondContact O-N 2.88Å
164L88.7Confident82.2Confident105 Ų105106.4 Ų106.455%0.5554%0.535SS..Hα-helixtrans-62.5-39.4174.1-177.262.5000111.1Y160 V162 I167 V168Y160-L164 WeakPolarHBondContact O-CB 3.39Å; Y160-L164 PolarHBondContact O-N 3.33Å; V162-L164 PolarHBondContact O-N 2.89Å; L164-I167 PolarHBondContact O-N 3.14Å; L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.45Å; L164-V168 PolarHBondContact O-N 2.73Å
165G89.8Confident84Confident40 Ų40102.6 Ų102.641%0.41252%0.519SS..Hα-helixtrans-58.1-45.4172.200000112.5S161 V162 E163 V168 A169S161-G165 PolarHBondContact O-N 3.14Å; V162-G165 WeakPolarHBondContact O-CA 3.23Å; V162-G165 PolarHBondContact O-N 3.2Å; V162-G165 VanDerWaalsContact O-N 3.17Å; E163-G165 VanDerWaalsContact C-N 3.3Å; E163-G165 PolarHBondContact O-N 3.07Å; G165-V168 PolarHBondContact O-N 3.13Å; G165-A169 WeakPolarHBondContact O-CB 3.3Å; G165-A169 PolarHBondContact O-N 3.28Å
166F92.1Very high85.7Confident147 Ų14797.7 Ų97.765%0.64550%0.499SS*.Hα-helixtrans-63-42.4174.8-78.5-65.5000112.7V162 E163 A169 L170V162-F166 HydrophobicContact CG1-CD2 3.9Å; V162-F166 HydrophobicContact CG1-CE2 3.54Å; V162-F166 WeakPolarHBondContact O-CD2 3.12Å; V162-F166 PolarHBondContact O-N 3.21Å; E163-F166 WeakPolarHBondContact O-CB 3.44Å; E163-F166 PolarHBondContact O-N 3.03Å; F166-A169 PolarHBondContact O-N 2.99Å; F166-L170 WeakPolarHBondContact O-CB 3.47Å; F166-L170 PolarHBondContact O-N 3.16Å
167I91.9Very high87.3Confident93 Ų9394.7 Ų94.748%0.47748%0.483SS..Hα-helixtrans-62.7-45.1176.7-67.8166.9000110.6E163 L164 L170 L171E163-I167 WeakPolarHBondContact O-CG1 3.34Å; E163-I167 PolarHBondContact O-N 2.88Å; L164-I167 PolarHBondContact O-N 3.14Å; I167-L170 PolarHBondContact O-N 2.86Å; I167-L171 HydrophobicContact CG2-CD1 4.1Å; I167-L171 HydrophobicContact CG2-CG 4.42Å; I167-L171 WeakPolarHBondContact O-CB 3.38Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 2.97Å
168V91.8Very high88.5Confident72 Ų7287.8 Ų87.844%0.43647%0.465SS..Hα-helixtrans-61.8-45.2176.4171.40000110.5L164 G165 L170 L171 L172L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.45Å; L164-V168 PolarHBondContact O-N 2.73Å; G165-V168 PolarHBondContact O-N 3.13Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 3.26Å; V168-L171 PolarHBondContact O-N 3.36Å; V168-L172 HydrophobicContact CG1-CD1 4.17Å; V168-L172 HydrophobicContact CG1-CG 4.39Å; V168-L172 VanDerWaalsContact O-CG 3.25Å; V168-L172 WeakPolarHBondContact O-CG 3.49Å; V168-L172 PolarHBondContact O-N 3.35Å
169A89.4Confident89.5Confident44 Ų4487.8 Ų87.836%0.36446%0.46SS..Hα-helixtrans-60.3-41.4176.600000112.3G165 F166 L172 Y173G165-A169 WeakPolarHBondContact O-CB 3.3Å; G165-A169 PolarHBondContact O-N 3.28Å; F166-A169 PolarHBondContact O-N 2.99Å; A169-L172 PolarHBondContact O-N 2.96Å; A169-Y173 WeakPolarHBondContact O-CB 3.3Å; A169-Y173 PolarHBondContact O-N 3.05Å
170L91.5Very high90.6Very high118 Ų11883 Ų8362%0.61844%0.435SS*.Hα-helixtrans-65.7-41.4176.1-174.867.9000111.9F166 I167 V168 Y173 L174F166-L170 WeakPolarHBondContact O-CB 3.47Å; F166-L170 PolarHBondContact O-N 3.16Å; I167-L170 PolarHBondContact O-N 2.86Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 3.26Å; L170-Y173 WeakPolarHBondContact O-CB 3.14Å; L170-Y173 PolarHBondContact O-N 2.96Å; L170-L174 WeakPolarHBondContact O-CB 3.44Å; L170-L174 PolarHBondContact O-N 3.49Å
171L92.7Very high91.1Very high98 Ų9882 Ų8251%0.51343%0.433SS..Hα-helixtrans-63.1-42.8174.9-74.3173.6000111.5I167 V168 Y173 L174 V175I167-L171 HydrophobicContact CG2-CD1 4.1Å; I167-L171 HydrophobicContact CG2-CG 4.42Å; I167-L171 WeakPolarHBondContact O-CB 3.38Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 2.97Å; V168-L171 PolarHBondContact O-N 3.36Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; L171-Y173 PolarHBondContact O-N 3.32Å; L171-L174 PolarHBondContact O-N 2.76Å; L171-V175 VanDerWaalsContact O-CG2 3.31Å; L171-V175 WeakPolarHBondContact O-CG2 3.32Å; L171-V175 PolarHBondContact O-N 2.9Å
172L90.3Very high91.6Very high52 Ų5282.2 Ų82.227%0.27243%0.431SS..Hα-helixtrans-60.6-42.7174.3-68.7175.4000111.5Y19 V168 A169 V175 N176Y19-L172 WeakPolarHBondContact OH-CD2 3.36Å; V168-L172 HydrophobicContact CG1-CD1 4.17Å; V168-L172 HydrophobicContact CG1-CG 4.39Å; V168-L172 VanDerWaalsContact O-CG 3.25Å; V168-L172 WeakPolarHBondContact O-CG 3.49Å; V168-L172 PolarHBondContact O-N 3.35Å; A169-L172 PolarHBondContact O-N 2.96Å; L172-V175 PolarHBondContact O-N 3.49Å; L172-N176 WeakPolarHBondContact O-CB 3.14Å; L172-N176 PolarHBondContact O-N 3.39Å
173Y91.5Very high92Very high105 Ų10579.5 Ų79.541%0.41241%0.411SS..Hα-helixtrans-60.6-46174.5-177.2-87.7000111.5A169 L170 L171 N176 Y177 L253A169-Y173 WeakPolarHBondContact O-CB 3.3Å; A169-Y173 PolarHBondContact O-N 3.05Å; L170-Y173 WeakPolarHBondContact O-CB 3.14Å; L170-Y173 PolarHBondContact O-N 2.96Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; L171-Y173 PolarHBondContact O-N 3.32Å; Y173-N176 PolarHBondContact O-N 3.35Å; Y173-Y177 WeakPolarHBondContact O-CB 3.34Å; Y173-Y177 PolarHBondContact O-N 3.18Å; Y173-L253 HydrophobicContact CD2-CB 4.47Å; Y173-L253 HydrophobicContact CD2-CD1 3.9Å; Y173-L253 HydrophobicContact CD2-CG 4.26Å
174L93Very high92.3Very high96 Ų9674.3 Ų74.350%0.50339%0.387SS..Hα-helixtrans-64.2-43.3179.1-175.465.3000112.1L170 L171 N176 Y177 V178L170-L174 WeakPolarHBondContact O-CB 3.44Å; L170-L174 PolarHBondContact O-N 3.49Å; L171-L174 PolarHBondContact O-N 2.76Å; L174-N176 VanDerWaalsContact C-N 3.35Å; L174-Y177 WeakPolarHBondContact O-CB 3.39Å; L174-Y177 PolarHBondContact O-N 2.77Å; L174-V178 WeakPolarHBondContact O-CG2 3.43Å; L174-V178 PolarHBondContact O-N 3.39Å
175V93Very high92.6Very high90 Ų9074 Ų7455%0.54538%0.381SS..Hα-helixtrans-62.9-42.9176171.20000110.6L171 L172 Y177 V178 Y179L171-V175 VanDerWaalsContact O-CG2 3.31Å; L171-V175 WeakPolarHBondContact O-CG2 3.32Å; L171-V175 PolarHBondContact O-N 2.9Å; L172-V175 PolarHBondContact O-N 3.49Å; V175-Y177 VanDerWaalsContact C-N 3.34Å; V175-V178 PolarHBondContact O-N 3.32Å; V175-Y179 VanDerWaalsContact O-CB 3.3Å; V175-Y179 WeakPolarHBondContact O-CB 3.24Å; V175-Y179 PolarHBondContact O-N 3.3Å
176N92Very high92.8Very high33 Ų3375 Ų7518%0.17638%0.378CS..Hα-helixtrans-63.3-40.7174.6-177.177.3000112L172 Y173 L174 Y179 G180 R250 Q251 L253L172-N176 WeakPolarHBondContact O-CB 3.14Å; L172-N176 PolarHBondContact O-N 3.39Å; Y173-N176 PolarHBondContact O-N 3.35Å; L174-N176 VanDerWaalsContact C-N 3.35Å; N176-Y179 PolarHBondContact O-N 2.97Å; N176-G180 PolarHBondContact O-N 3.11Å; N176-R250 PolarHBondContact ND2-O 3.4Å; N176-Q251 PolarHBondContact ND2-O 2.89Å; N176-L253 HydrophobicContact CB-CD1 4.47Å; N176-L253 HydrophobicContact CB-CD2 3.78Å; N176-L253 HydrophobicContact CB-CG 4.07Å; N176-L253 WeakPolarHBondContact ND2-CD2 3.4Å
177Y93.8Very high93Very high68 Ų6868.2 Ų68.227%0.26735%0.348SS..Hα-helixtrans-59-50.4176.4173.2-96.6000111.2Y173 L174 V175 G180 K181 D225 Q251Y173-Y177 WeakPolarHBondContact O-CB 3.34Å; Y173-Y177 PolarHBondContact O-N 3.18Å; L174-Y177 WeakPolarHBondContact O-CB 3.39Å; L174-Y177 PolarHBondContact O-N 2.77Å; V175-Y177 VanDerWaalsContact C-N 3.34Å; Y177-G180 PolarHBondContact O-N 3.27Å; Y177-K181 HydrophobicContact CE1-CD 4.11Å; Y177-K181 WeakPolarHBondContact O-CB 3.17Å; Y177-K181 PolarHBondContact O-N 3.48Å; Y177-D225 WeakPolarHBondContact CE2-OD2 3.47Å; Y177-D225 PolarHBondContact OH-OD2 2.83Å; Y177-Q251 HydrophobicContact CD2-CB 3.69Å; Y177-Q251 HydrophobicContact CD2-CG 3.96Å; Y177-Q251 HydrophobicContact CE2-CB 4.13Å; Y177-Q251 HydrophobicContact CE2-CG 4.03Å; Y177-Q251 HydrophobicContact CG-CB 4.43Å
178V94.3Very high93.1Very high78 Ų7863.8 Ų63.847%0.47333%0.325SS..Hα-helixtrans-62.9-48178.3175.80000110.9L174 V175 G180 K181 T182L174-V178 WeakPolarHBondContact O-CG2 3.43Å; L174-V178 PolarHBondContact O-N 3.39Å; V175-V178 PolarHBondContact O-N 3.32Å; V178-G180 PolarHBondContact O-N 2.92Å; V178-K181 PolarHBondContact O-N 3.32Å; V178-T182 WeakPolarHBondContact O-CB 3.33Å; V178-T182 PolarHBondContact O-N 3.28Å; V178-T182 PolarHBondContact O-OG1 3.48Å; V178-T182 VanDerWaalsContact O-OG1 3.06Å
179Y92.8Very high93.3Very high137 Ų13761.8 Ų61.854%0.53731%0.314SS..Hα-helixtrans-61-46.2178.7175.9-102.2000112.4V175 N176 T182 K183V175-Y179 VanDerWaalsContact O-CB 3.3Å; V175-Y179 WeakPolarHBondContact O-CB 3.24Å; V175-Y179 PolarHBondContact O-N 3.3Å; N176-Y179 PolarHBondContact O-N 2.97Å; Y179-T182 PolarHBondContact O-N 2.75Å; Y179-K183 HydrophobicContact CE1-CD 4.35Å; Y179-K183 VanDerWaalsContact O-CB 3.29Å; Y179-K183 WeakPolarHBondContact O-CB 3.49Å; Y179-K183 PolarHBondContact O-N 3.1Å
180G92.5Very high93.5Very high0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-63.8-43.3179.200000112.3N176 Y177 V178 K183 N184N176-G180 PolarHBondContact O-N 3.11Å; Y177-G180 PolarHBondContact O-N 3.27Å; V178-G180 PolarHBondContact O-N 2.92Å; G180-K183 PolarHBondContact O-N 2.92Å; G180-N184 WeakPolarHBondContact O-CB 3.28Å; G180-N184 PolarHBondContact O-N 3.37Å
181K94Very high93.7Very high76 Ų7655.1 Ų55.133%0.3328%0.275SS..Hα-helixtrans-62-49.4175.5178.3177.7179173.30111.8Y177 V178 N184 F185 D225Y177-K181 HydrophobicContact CE1-CD 4.11Å; Y177-K181 WeakPolarHBondContact O-CB 3.17Å; Y177-K181 PolarHBondContact O-N 3.48Å; V178-K181 PolarHBondContact O-N 3.32Å; K181-N184 PolarHBondContact O-N 3.19Å; K181-F185 WeakPolarHBondContact O-CB 3.36Å; K181-F185 PolarHBondContact O-N 3.37Å; K181-D225 WeakPolarHBondContact CE-OD1 3.29Å; K181-D225 IonicContact NZ-OD1 3.68Å
182T94.4Very high93.8Very high70 Ų7051 Ų5143%0.42925%0.253SS..Hα-helixtrans-63.3-42.8178.4-60.30000111.4V178 Y179 N184 F185 N186V178-T182 WeakPolarHBondContact O-CB 3.33Å; V178-T182 PolarHBondContact O-N 3.28Å; V178-T182 PolarHBondContact O-OG1 3.48Å; V178-T182 VanDerWaalsContact O-OG1 3.06Å; Y179-T182 PolarHBondContact O-N 2.75Å; T182-N184 PolarHBondContact O-N 3.34Å; T182-F185 PolarHBondContact O-N 2.97Å; T182-N186 VanDerWaalsContact O-CG 3.23Å; T182-N186 PolarHBondContact O-N 2.79Å; T182-N186 PolarHBondContact O-OD1 2.9Å
183K93.5Very high93.9Very high38 Ų3852.7 Ų52.717%0.16526%0.262CS..Hα-helixtrans-62.4-45.6177.5-174170.7-178.4179.10111.8Y179 G180 F185 N186 L187 A395Y179-K183 HydrophobicContact CE1-CD 4.35Å; Y179-K183 VanDerWaalsContact O-CB 3.29Å; Y179-K183 WeakPolarHBondContact O-CB 3.49Å; Y179-K183 PolarHBondContact O-N 3.1Å; G180-K183 PolarHBondContact O-N 2.92Å; K183-F185 VanDerWaalsContact C-N 3.34Å; K183-N186 PolarHBondContact O-N 3.43Å; K183-L187 HydrophobicContact CG-CD1 4.43Å; K183-L187 VanDerWaalsContact O-CG 3.32Å; K183-L187 WeakPolarHBondContact O-CG 3.48Å; K183-L187 PolarHBondContact O-N 2.78Å; K183-A395 WeakPolarHBondContact CE-O 3.48Å; K183-A395 PolarHBondContact NZ-O 3.19Å
184N95.1Very high94.1Very high0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-62.4-42.7177-80.3-3.6000111.8G180 K181 T182 L187 A188 D225 Y228 L247 I248 R250 Q251G180-N184 WeakPolarHBondContact O-CB 3.28Å; G180-N184 PolarHBondContact O-N 3.37Å; K181-N184 PolarHBondContact O-N 3.19Å; T182-N184 PolarHBondContact O-N 3.34Å; N184-L187 PolarHBondContact O-N 3.38Å; N184-A188 WeakPolarHBondContact O-CB 3.24Å; N184-A188 PolarHBondContact O-N 3.36Å; N184-D225 WeakPolarHBondContact CB-O 3.22Å; N184-D225 PolarHBondContact ND2-O 3.4Å; N184-D225 VanDerWaalsContact ND2-O 3.13Å; N184-Y228 HydrophobicContact CB-CE2 4.39Å; N184-L247 HydrophobicContact CB-CD1 3.69Å; N184-L247 WeakPolarHBondContact O-CD1 3.44Å; N184-I248 PolarHBondContact ND2-O 2.69Å; N184-I248 PolarHBondContact OD1-O 3.17Å; N184-R250 WeakPolarHBondContact OD1-CD 3.22Å; N184-R250 PolarHBondContact OD1-NH1 3.5Å; N184-Q251 PolarHBondContact ND2-OE1 2.72Å
185F94.8Very high94.1Very high99 Ų9944 Ų4443%0.43423%0.226SC..Hα-helixtrans-60.8-46.2175.8178.4-101.7000112K181 T182 K183 L187 A188 S189 M220 Y228K181-F185 WeakPolarHBondContact O-CB 3.36Å; K181-F185 PolarHBondContact O-N 3.37Å; T182-F185 PolarHBondContact O-N 2.97Å; K183-F185 VanDerWaalsContact C-N 3.34Å; F185-L187 PolarHBondContact O-N 3.29Å; F185-A188 PolarHBondContact O-N 3.03Å; F185-S189 WeakPolarHBondContact O-CB 3.43Å; F185-S189 PolarHBondContact O-N 3.49Å; F185-M220 HydrophobicContact CD2-CE 4.49Å; F185-M220 HydrophobicContact CE2-CE 4.24Å; F185-Y228 HydrophobicContact CD2-CE1 4.15Å
186N95.1Very high94Very high62 Ų6244.4 Ų44.433%0.33222%0.217SC..Hα-helixtrans-62.3-41.4178.8-69.34000112.2T182 K183 A188 A190T182-N186 VanDerWaalsContact O-CG 3.23Å; T182-N186 PolarHBondContact O-N 2.79Å; T182-N186 PolarHBondContact O-OD1 2.9Å; K183-N186 PolarHBondContact O-N 3.43Å; N186-A188 VanDerWaalsContact C-N 3.35Å; N186-A190 WeakPolarHBondContact O-CB 3.37Å; N186-A190 PolarHBondContact O-N 2.77Å
187L95.3Very high94Very high3 Ų348.1 Ų48.12%0.01624%0.237CC..Hα-helixtrans-62.3-43175.5-68.4172.6000111.6K183 N184 F185 W191 L247 A395 T396 V400K183-L187 HydrophobicContact CG-CD1 4.43Å; K183-L187 VanDerWaalsContact O-CG 3.32Å; K183-L187 WeakPolarHBondContact O-CG 3.48Å; K183-L187 PolarHBondContact O-N 2.78Å; N184-L187 PolarHBondContact O-N 3.38Å; F185-L187 PolarHBondContact O-N 3.29Å; L187-W191 PolarHBondContact O-N 2.93Å; L187-W191 VanDerWaalsContact O-N 3.13Å; L187-L247 HydrophobicContact CB-CD1 4.39Å; L187-A395 HydrophobicContact CD1-CB 4.32Å; L187-T396 VanDerWaalsContact CD2-C 3.47Å; L187-V400 HydrophobicContact CB-CG2 4.25Å; L187-V400 HydrophobicContact CD2-CG2 3.7Å
188A95.1Very high94.1Very high0 Ų047.3 Ų47.30%024%0.235CC..Hα-helixtrans-68-44.4179.200000112.2N184 F185 N186 W191 F192 M220 Y228 L245 L247N184-A188 WeakPolarHBondContact O-CB 3.24Å; N184-A188 PolarHBondContact O-N 3.36Å; F185-A188 PolarHBondContact O-N 3.03Å; N186-A188 VanDerWaalsContact C-N 3.35Å; A188-W191 PolarHBondContact O-N 3.48Å; A188-F192 PolarHBondContact O-N 3.26Å; A188-M220 HydrophobicContact CB-CE 4Å; A188-M220 HydrophobicContact CB-SD 3.78Å; A188-Y228 HydrophobicContact CB-CD1 4.09Å; A188-Y228 HydrophobicContact CB-CD2 3.57Å; A188-Y228 HydrophobicContact CB-CE1 4.43Å; A188-Y228 HydrophobicContact CB-CE2 3.98Å; A188-Y228 HydrophobicContact CB-CG 3.64Å; A188-L245 HydrophobicContact CB-CD2 4.36Å; A188-L247 HydrophobicContact CB-CD1 4.39Å
189S94.5Very high94Very high31 Ų3143.6 Ų43.622%0.21721%0.213CC..Hα-helixtrans-60.9-47.1174.8-1630000111.1F185 W191 F192 D193F185-S189 WeakPolarHBondContact O-CB 3.43Å; F185-S189 PolarHBondContact O-N 3.49Å; S189-W191 VanDerWaalsContact C-N 3.27Å; S189-W191 PolarHBondContact O-N 2.95Å; S189-F192 PolarHBondContact O-N 3.29Å; S189-D193 WeakPolarHBondContact O-CB 3.45Å; S189-D193 VanDerWaalsContact O-CG 3.23Å; S189-D193 PolarHBondContact O-N 3.26Å; S189-D193 VanDerWaalsContact O-OD2 3.05Å; S189-D193 PolarHBondContact OG-OD2 3.49Å
190A95.3Very high94Very high16 Ų1639.8 Ų39.813%0.13221%0.209CC..Hα-helixtrans-59.4-37.1179.200000112.6N186 A194 E397N186-A190 WeakPolarHBondContact O-CB 3.37Å; N186-A190 PolarHBondContact O-N 2.77Å; A190-A194 VanDerWaalsContact O-CB 3.25Å; A190-A194 WeakPolarHBondContact O-CB 3.14Å; A190-A194 PolarHBondContact O-N 3.23Å; A190-E397 HydrophobicContact CB-CB 4.09Å; A190-E397 HydrophobicContact CB-CG 3.96Å
191W95.3Very high94.1Very high5 Ų547.2 Ų47.22%0.01924%0.244CC..Hα-helixtrans-65.7-47.7172.4-171.982.5000111.6L187 A188 S189 A194 N195 I230 A243 L245 V268 V400L187-W191 PolarHBondContact O-N 2.93Å; L187-W191 VanDerWaalsContact O-N 3.13Å; A188-W191 PolarHBondContact O-N 3.48Å; S189-W191 VanDerWaalsContact C-N 3.27Å; S189-W191 PolarHBondContact O-N 2.95Å; W191-A194 PolarHBondContact O-N 3.39Å; W191-N195 PolarHBondContact NE1-ND2 3.3Å; W191-N195 PolarHBondContact O-N 2.86Å; W191-N195 PolarHBondContact O-ND2 3.24Å; W191-I230 HydrophobicContact CE3-CD1 3.93Å; W191-I230 HydrophobicContact CZ3-CD1 3.53Å; W191-A243 HydrophobicContact CH2-CB 3.57Å; W191-A243 HydrophobicContact CZ3-CB 4.02Å; W191-L245 HydrophobicContact CB-CD2 3.69Å; W191-L245 HydrophobicContact CD2-CD1 4.39Å; W191-L245 HydrophobicContact CD2-CD2 3.97Å; W191-L245 HydrophobicContact CE3-CD1 3.84Å; W191-L245 HydrophobicContact CE3-CD2 4.1Å; W191-L245 HydrophobicContact CE3-CG 4.43Å; W191-L245 HydrophobicContact CG-CD2 3.8Å; W191-L245 HydrophobicContact CZ3-CD1 4.13Å; W191-V268 HydrophobicContact CZ2-CG1 3.79Å; W191-V400 HydrophobicContact CB-CG1 3.4Å; W191-V400 HydrophobicContact CG-CG1 3.97Å
192F94.1Very high94Very high12 Ų1245.5 Ų45.55%0.05324%0.239CC..Hα-helixtrans-63.3-51.9-177-179.5-121.7000111.4A188 S189 A194 N195 R196 V206 N218 M220 I230A188-F192 PolarHBondContact O-N 3.26Å; S189-F192 PolarHBondContact O-N 3.29Å; F192-A194 PolarHBondContact O-N 2.82Å; F192-N195 CarbonylContact O-C 3.58Å; F192-N195 PolarHBondContact O-N 2.94Å; F192-R196 WeakPolarHBondContact O-CB 3.25Å; F192-R196 PolarHBondContact O-N 2.88Å; F192-V206 HydrophobicContact CE2-CG1 4.38Å; F192-N218 HydrophobicContact CE1-CB 4.46Å; F192-N218 HydrophobicContact CZ-CB 4.29Å; F192-M220 HydrophobicContact CB-SD 4.5Å; F192-I230 HydrophobicContact CB-CD1 4.12Å; F192-I230 HydrophobicContact CD2-CD1 3.35Å; F192-I230 HydrophobicContact CD2-CG1 4.06Å; F192-I230 HydrophobicContact CE2-CD1 4.01Å; F192-I230 HydrophobicContact CE2-CG1 4.26Å; F192-I230 HydrophobicContact CE2-CG2 4.12Å; F192-I230 HydrophobicContact CG-CD1 4.01Å
193D93.5Very high93.9Very high88 Ų8842.5 Ų42.547%0.47122%0.22SC..Hα-helixtrans-58.3-36.8-179.3-65.2-37.1000111.7S189 N195S189-D193 WeakPolarHBondContact O-CB 3.45Å; S189-D193 VanDerWaalsContact O-CG 3.23Å; S189-D193 PolarHBondContact O-N 3.26Å; S189-D193 VanDerWaalsContact O-OD2 3.05Å; S189-D193 PolarHBondContact OG-OD2 3.49Å; D193-N195 PolarHBondContact O-N 3.11Å
194A94Very high93.8Very high16 Ų1644.5 Ų44.513%0.13224%0.238CC..Hα-helixtrans-73.5-24.6179.700000114.7A190 W191 F192 L401 K404A190-A194 VanDerWaalsContact O-CB 3.25Å; A190-A194 WeakPolarHBondContact O-CB 3.14Å; A190-A194 PolarHBondContact O-N 3.23Å; W191-A194 PolarHBondContact O-N 3.39Å; F192-A194 PolarHBondContact O-N 2.82Å; A194-L401 HydrophobicContact CB-CD2 3.34Å; A194-K404 VanDerWaalsContact O-CE 3.23Å; A194-K404 WeakPolarHBondContact O-CE 3.44Å; A194-K404 PolarHBondContact O-NZ 3.28Å; A194-K404 VanDerWaalsContact O-NZ 3.13Å
195N93.7Very high93.6Very high3 Ų346.2 Ų46.22%0.01625%0.247CC..Hα-helixtrans-109.7-12.4-175.1-69.1-66.9000113.4W191 F192 D193 D197 F198 L199 L407W191-N195 PolarHBondContact NE1-ND2 3.3Å; W191-N195 PolarHBondContact O-N 2.86Å; W191-N195 PolarHBondContact O-ND2 3.24Å; F192-N195 CarbonylContact O-C 3.58Å; F192-N195 PolarHBondContact O-N 2.94Å; D193-N195 PolarHBondContact O-N 3.11Å; N195-D197 PolarHBondContact O-N 3.43Å; N195-F198 PolarHBondContact O-N 2.95Å; N195-L199 WeakPolarHBondContact O-CG 3.29Å; N195-L199 PolarHBondContact O-N 3Å; N195-L407 HydrophobicContact CB-CD2 3.67Å; N195-L407 VanDerWaalsContact OD1-CD2 3.27Å; N195-L407 WeakPolarHBondContact OD1-CD2 3.3Å
196R91.3Very high93.4Very high97 Ų9741.7 Ų41.737%0.36623%0.228SC..Hα-helixtrans-50.9-52.5-177.2178.6-176.8176.7-164.6-3.3112.7F192 F198 L199 A200 N218F192-R196 WeakPolarHBondContact O-CB 3.25Å; F192-R196 PolarHBondContact O-N 2.88Å; R196-F198 VanDerWaalsContact C-N 3.31Å; R196-F198 PolarHBondContact O-N 2.91Å; R196-L199 PolarHBondContact O-N 3.34Å; R196-L199 VanDerWaalsContact O-N 3.14Å; R196-A200 WeakPolarHBondContact O-CB 3.44Å; R196-A200 PolarHBondContact O-N 2.96Å; R196-N218 VanDerWaalsContact NE-CG 3.3Å; R196-N218 PolarHBondContact NE-OD1 3.43Å; R196-N218 PolarHBondContact NH2-ND2 3.22Å; R196-N218 PolarHBondContact NH2-OD1 3.1Å
197D92.5Very high92.7Very high111 Ų11138.8 Ų38.859%0.59421%0.212SC*.Hα-helixtrans-60.1-44.3-177.5-59.5-26.4000111.2N195 L199 A200 E201N195-D197 PolarHBondContact O-N 3.43Å; D197-L199 VanDerWaalsContact C-N 3.34Å; D197-L199 PolarHBondContact O-N 3.21Å; D197-A200 PolarHBondContact O-N 3.25Å; D197-E201 WeakPolarHBondContact O-CG 3.4Å; D197-E201 PolarHBondContact O-N 2.96Å
198F94.2Very high92Very high52 Ų5240.3 Ų40.323%0.22822%0.22CC..Hα-helixtrans-65.3-36.6178-177.9-97000112.4N195 R196 N202 L407 P408 F411N195-F198 PolarHBondContact O-N 2.95Å; R196-F198 VanDerWaalsContact C-N 3.31Å; R196-F198 PolarHBondContact O-N 2.91Å; F198-N202 PolarHBondContact O-N 3.46Å; F198-N202 PolarHBondContact O-ND2 3.03Å; F198-L407 HydrophobicContact CD1-CD2 3.57Å; F198-L407 HydrophobicContact CD1-CG 3.91Å; F198-L407 HydrophobicContact CE1-CD2 4.14Å; F198-L407 HydrophobicContact CE1-CG 3.95Å; F198-P408 HydrophobicContact CE1-CG 4.33Å; F198-P408 HydrophobicContact CE2-CB 4.41Å; F198-P408 HydrophobicContact CE2-CG 4Å; F198-P408 HydrophobicContact CZ-CB 4.05Å; F198-P408 HydrophobicContact CZ-CG 3.87Å; F198-F411 HydrophobicContact CD1-CE2 4.29Å; F198-F411 AromaticContact CE1-CD2 3.65Å; F198-F411 HydrophobicContact CE1-CD2 3.65Å; F198-F411 AromaticContact CE1-CE2 3.59Å; F198-F411 HydrophobicContact CE1-CE2 3.59Å; F198-F411 HydrophobicContact CE1-CG 4.23Å; F198-F411 HydrophobicContact CE1-CZ 4.12Å; F198-F411 HydrophobicContact CZ-CD2 4.28Å; F198-F411 HydrophobicContact CZ-CG 4.48Å
199L93.8Very high91.1Very high0 Ų043 Ų430%023%0.234CC..Hα-helixtrans-68.1-42.2175.4-68176.1000111.3N195 R196 D197 E201 N202 F203 V206 M241 L407 F411N195-L199 WeakPolarHBondContact O-CG 3.29Å; N195-L199 PolarHBondContact O-N 3Å; R196-L199 PolarHBondContact O-N 3.34Å; R196-L199 VanDerWaalsContact O-N 3.14Å; D197-L199 VanDerWaalsContact C-N 3.34Å; D197-L199 PolarHBondContact O-N 3.21Å; L199-E201 VanDerWaalsContact C-N 3.31Å; L199-E201 PolarHBondContact O-N 2.9Å; L199-N202 PolarHBondContact O-N 3.25Å; L199-N202 VanDerWaalsContact O-N 3.1Å; L199-F203 HydrophobicContact CD2-CD2 4.3Å; L199-F203 HydrophobicContact CD2-CE2 4.3Å; L199-F203 WeakPolarHBondContact O-CB 3.29Å; L199-F203 PolarHBondContact O-N 3.13Å; L199-V206 HydrophobicContact CB-CG1 3.92Å; L199-V206 HydrophobicContact CB-CG2 3.97Å; L199-V206 HydrophobicContact CD1-CG1 4.29Å; L199-M241 HydrophobicContact CD2-CE 3.54Å; L199-M241 HydrophobicContact CD2-SD 4.42Å; L199-L407 HydrophobicContact CD2-CD2 4.04Å; L199-L407 HydrophobicContact CG-CD2 4.28Å; L199-F411 HydrophobicContact CD2-CE2 4.25Å; L199-F411 HydrophobicContact CD2-CZ 4.11Å
200A92.3Very high90.1Very high56 Ų5644.5 Ų44.546%0.46326%0.255SS..Hα-helixtrans-66.2-30.7179.400000112.9R196 D197 N202R196-A200 WeakPolarHBondContact O-CB 3.44Å; R196-A200 PolarHBondContact O-N 2.96Å; D197-A200 PolarHBondContact O-N 3.25Å; A200-N202 VanDerWaalsContact C-N 3.3Å
201E93.3Very high89Confident156 Ų15651.2 Ų51.273%0.72929%0.288SS*.Hα-helixtrans-68.8-28.1172.1-73.9174.2-175.500113D197 L199D197-E201 WeakPolarHBondContact O-CG 3.4Å; D197-E201 PolarHBondContact O-N 2.96Å; L199-E201 VanDerWaalsContact C-N 3.31Å; L199-E201 PolarHBondContact O-N 2.9Å
202N92.7Very high87.7Confident41 Ų4153.2 Ų53.222%0.21930%0.303CS..Hα-helixtrans-105.2-18.2-170.2-79.5-79000114.7F198 L199 A200 R235 F411F198-N202 PolarHBondContact O-N 3.46Å; F198-N202 PolarHBondContact O-ND2 3.03Å; L199-N202 PolarHBondContact O-N 3.25Å; L199-N202 VanDerWaalsContact O-N 3.1Å; A200-N202 VanDerWaalsContact C-N 3.3Å; N202-R235 PolarHBondContact OD1-NH1 2.94Å; N202-F411 HydrophobicContact CB-CD1 4.48Å; N202-F411 HydrophobicContact CB-CE1 3.66Å; N202-F411 HydrophobicContact CB-CZ 4.04Å
203F93.1Very high86.4Confident7 Ų762.6 Ų62.63%0.03135%0.347CS..  trans-131.9140.2-177.9-71.9-72.1000109.9L199 I205 V206 C232 S233 R235 M241 F272 F411L199-F203 HydrophobicContact CD2-CD2 4.3Å; L199-F203 HydrophobicContact CD2-CE2 4.3Å; L199-F203 WeakPolarHBondContact O-CB 3.29Å; L199-F203 PolarHBondContact O-N 3.13Å; F203-I205 VanDerWaalsContact C-N 3.31Å; F203-V206 HydrophobicContact CB-CG2 3.91Å; F203-C232 HydrophobicContact CB-CB 4.14Å; F203-C232 HydrophobicContact CD1-CB 4.09Å; F203-C232 HydrophobicContact CD2-CB 3.56Å; F203-C232 HydrophobicContact CE1-CB 4.4Å; F203-C232 HydrophobicContact CE2-CB 3.86Å; F203-C232 HydrophobicContact CG-CB 3.69Å; F203-C232 HydrophobicContact CZ-CB 4.31Å; F203-S233 WeakPolarHBondContact CB-O 3.44Å; F203-R235 HydrophobicContact CD1-CB 3.49Å; F203-R235 VanDerWaalsContact CD1-CB 3.49Å; F203-R235 HydrophobicContact CE1-CB 3.44Å; F203-R235 VanDerWaalsContact CE1-CB 3.44Å; F203-R235 HydrophobicContact CE1-CG 4.4Å; F203-R235 HydrophobicContact CG-CB 4.48Å; F203-R235 HydrophobicContact CZ-CB 4.43Å; F203-M241 HydrophobicContact CE1-CB 4.23Å; F203-M241 HydrophobicContact CE2-CB 4.06Å; F203-M241 HydrophobicContact CE2-CE 3.77Å; F203-M241 HydrophobicContact CE2-SD 3.7Å; F203-M241 HydrophobicContact CZ-CB 3.55Å; F203-M241 HydrophobicContact CZ-CE 4.42Å; F203-M241 HydrophobicContact CZ-CG 4.29Å; F203-M241 HydrophobicContact CZ-SD 3.98Å; F203-F272 HydrophobicContact CZ-CD1 4.5Å; F203-F272 HydrophobicContact CZ-CE1 4.15Å; F203-F411 HydrophobicContact CD2-CE1 4.4Å; F203-F411 HydrophobicContact CD2-CZ 4.11Å; F203-F411 AromaticContact CE2-CE1 3.68Å; F203-F411 HydrophobicContact CE2-CE1 3.68Å; F203-F411 AromaticContact CE2-CZ 3.37Å; F203-F411 HydrophobicContact CE2-CZ 3.37Å; F203-F411 HydrophobicContact CZ-CE1 4.02Å; F203-F411 HydrophobicContact CZ-CZ 4.08Å
204S90.7Very high85.4Confident79 Ų7966.1 Ų66.155%0.55236%0.36SS*.SBendtrans-73.1-28.4176.2690000112.4S233 G234S204-S233 PolarHBondContact N-O 2.87Å; S204-G234 WeakPolarHBondContact OG-CA 3.36Å
205I90.5Very high84.1Confident36 Ų3668.3 Ų68.319%0.18537%0.372CS..EExtended strand (participates in β ladder)trans-124.7125.9-179.6-60.4170.2000108.2F203 D208 V215 C232 S233F203-I205 VanDerWaalsContact C-N 3.31Å; I205-D208 HydrophobicContact CG2-CB 3.76Å; I205-V215 HydrophobicContact CB-CG1 4.34Å; I205-V215 HydrophobicContact CD1-CG1 4.18Å; I205-V215 HydrophobicContact CD1-CG2 4.36Å; I205-V215 HydrophobicContact CG1-CG1 3.96Å; I205-V215 HydrophobicContact CG2-CG1 3.56Å; I205-C232 CarbonylContact O-C 3.59Å; I205-C232 VanDerWaalsContact O-CA 3.25Å; I205-C232 WeakPolarHBondContact O-CA 3.47Å; I205-S233 PolarHBondContact N-O 3.38Å; I205-S233 VanDerWaalsContact N-O 3.09Å; I205-S233 PolarHBondContact O-N 3.38Å
206V89.9Confident82.9Confident5 Ų569.7 Ų69.73%0.0338%0.382CS..EExtended strand (participates in β ladder)trans-134114-180178.20000108.4F192 L199 F203 N218F192-V206 HydrophobicContact CE2-CG1 4.38Å; L199-V206 HydrophobicContact CB-CG1 3.92Å; L199-V206 HydrophobicContact CB-CG2 3.97Å; L199-V206 HydrophobicContact CD1-CG1 4.29Å; F203-V206 HydrophobicContact CB-CG2 3.91Å; V206-N218 PolarHBondContact O-N 2.93Å
207G80.8Confident82.1Confident0 Ų070.4 Ų70.40%039%0.389CS..SBendtrans80.955.6176.300000113.9S216 V219 W231G207-S216 CarbonylContact C-O 3.52Å; G207-V219 CarbonylContact C-O 3.59Å; G207-V219 WeakPolarHBondContact CA-O 3.35Å; G207-V219 WeakPolarHBondContact O-CB 3.35Å; G207-V219 PolarHBondContact O-N 3.41Å; G207-V219 VanDerWaalsContact O-N 3.16Å; G207-W231 WeakPolarHBondContact CA-O 3.49Å; G207-W231 PolarHBondContact N-O 3.45Å
208D80.4Confident81.4Confident36 Ų3668 Ų6819%0.19338%0.376CS..  trans-93129.5172.8-175.612.1000110.2I205 G210I205-D208 HydrophobicContact CG2-CB 3.76Å; D208-G210 PolarHBondContact OD1-N 2.99Å; D208-G210 VanDerWaalsContact OD1-N 3.08Å
209D76.8Confident80.9Confident55 Ų5568 Ų6829%0.29438%0.381SS..  trans-85.5-11.7179.367.57.7000113L211 S212 I221D209-L211 PolarHBondContact O-N 2.9Å; D209-L211 VanDerWaalsContact O-N 3.11Å; D209-L211 PolarHBondContact OD1-N 3.31Å; D209-S212 PolarHBondContact OD1-N 2.93Å; D209-S212 PolarHBondContact OD1-OG 3.19Å; D209-I221 HydrophobicContact CB-CG1 4.39Å
210G73.8Confident80.7Confident63 Ų6369.7 Ų69.765%0.64939%0.389SS*.SBendtrans64.76.7-179.100000114.4D208D208-G210 PolarHBondContact OD1-N 2.99Å; D208-G210 VanDerWaalsContact OD1-N 3.08Å
211L73.2Confident80.6Confident157 Ų15769.6 Ų69.682%0.82238%0.38SS*.SBendtrans-97.3-36.1-179.8-67.7173.8000111.1D209D209-L211 PolarHBondContact O-N 2.9Å; D209-L211 VanDerWaalsContact O-N 3.11Å; D209-L211 PolarHBondContact OD1-N 3.31Å
212S67.8Low80.6Confident48 Ų4866.7 Ų66.734%0.33637%0.365SS..SBendtrans-84.1143.1175.153.80000111.6D209 E214 S216D209-S212 PolarHBondContact OD1-N 2.93Å; D209-S212 PolarHBondContact OD1-OG 3.19Å; S212-E214 WeakPolarHBondContact CB-O 3.5Å; S212-E214 PolarHBondContact O-N 2.86Å; S212-E214 PolarHBondContact OG-O 3.4Å; S212-S216 PolarHBondContact OG-OG 3.32Å; S212-S216 VanDerWaalsContact OG-OG 3.04Å
213Q66.6Low80.5Confident208 Ų20869.8 Ų69.897%0.97238%0.378SS*.SBendtrans-65.7-29.1169.8-74.8-175.8-10.600111.8
214E71Confident80.5Confident162 Ų16272 Ų7276%0.75740%0.395SS*.SBendtrans-84.7138.1172.4-62.5-173.817600109.6S212 S216S212-E214 WeakPolarHBondContact CB-O 3.5Å; S212-E214 PolarHBondContact O-N 2.86Å; S212-E214 PolarHBondContact OG-O 3.4Å; E214-S216 PolarHBondContact O-N 3.29Å
215V67.7Low80.6Confident62 Ų6269.6 Ų69.638%0.37638%0.375SS..  trans-65106.3176.8-177.80000108.2I205 H217I205-V215 HydrophobicContact CB-CG1 4.34Å; I205-V215 HydrophobicContact CD1-CG1 4.18Å; I205-V215 HydrophobicContact CD1-CG2 4.36Å; I205-V215 HydrophobicContact CG1-CG1 3.96Å; I205-V215 HydrophobicContact CG2-CG1 3.56Å; V215-H217 PolarHBondContact O-CD2 3.42Å; V215-H217 PolarHBondContact O-N 2.91Å
216S67.9Low80.7Confident33 Ų3368.4 Ų68.423%0.23137%0.37CS..  trans-68.8121170.8-74.90000108G207 S212 E214G207-S216 CarbonylContact C-O 3.52Å; S212-S216 PolarHBondContact OG-OG 3.32Å; S212-S216 VanDerWaalsContact OG-OG 3.04Å; E214-S216 PolarHBondContact O-N 3.29Å
217H74.4Confident81Confident112 Ų11268.9 Ų68.952%0.51937%0.374SS..  trans-96.2138.3175.2-70.9-84.5000109.9V215V215-H217 PolarHBondContact O-CD2 3.42Å; V215-H217 PolarHBondContact O-N 2.91Å
218N78.1Confident81.7Confident60 Ų6069 Ų6932%0.32137%0.374SS..SBendtrans69.130.1173-43.3-72000115.2F192 R196 V206F192-N218 HydrophobicContact CE1-CB 4.46Å; F192-N218 HydrophobicContact CZ-CB 4.29Å; R196-N218 VanDerWaalsContact NE-CG 3.3Å; R196-N218 PolarHBondContact NE-OD1 3.43Å; R196-N218 PolarHBondContact NH2-ND2 3.22Å; R196-N218 PolarHBondContact NH2-OD1 3.1Å; V206-N218 PolarHBondContact O-N 2.93Å
219V83.9Confident82.4Confident53 Ų5367.4 Ų67.432%0.32137%0.366SS..PPolyproline II helixtrans-95.3127.6175.1-1760000110.2G207G207-V219 CarbonylContact C-O 3.59Å; G207-V219 WeakPolarHBondContact CA-O 3.35Å; G207-V219 WeakPolarHBondContact O-CB 3.35Å; G207-V219 PolarHBondContact O-N 3.41Å; G207-V219 VanDerWaalsContact O-N 3.16Å
220M89.4Confident83.2Confident34 Ų3464.8 Ų64.817%0.16735%0.352CS..PPolyproline II helixtrans-93.7119.2166.4176.8177.962.200108.3F185 A188 F192 Y228 I230F185-M220 HydrophobicContact CD2-CE 4.49Å; F185-M220 HydrophobicContact CE2-CE 4.24Å; A188-M220 HydrophobicContact CB-CE 4Å; A188-M220 HydrophobicContact CB-SD 3.78Å; F192-M220 HydrophobicContact CB-SD 4.5Å; M220-Y228 HydrophobicContact CE-CD1 3.71Å; M220-Y228 HydrophobicContact CE-CE1 4.15Å; M220-Y228 HydrophobicContact CE-CG 4.44Å; M220-Y228 HydrophobicContact CG-CD1 4.29Å; M220-Y228 HydrophobicContact SD-CD1 3.91Å; M220-Y228 HydrophobicContact SD-CG 4.14Å; M220-I230 HydrophobicContact CB-CG1 4.11Å; M220-I230 HydrophobicContact CG-CD1 4.21Å; M220-I230 HydrophobicContact CG-CG1 3.9Å; M220-I230 HydrophobicContact SD-CD1 4.49Å
221I91.2Very high84.2Confident54 Ų5466.3 Ų66.328%0.27734%0.339SS..EExtended strand (participates in β ladder)trans-76.5128.3179.5-55.2170.6000108.5D209 Y228 A229D209-I221 HydrophobicContact CB-CG1 4.39Å; I221-Y228 CarbonylContact O-C 3.49Å; I221-Y228 WeakPolarHBondContact O-CA 3.49Å; I221-A229 WeakPolarHBondContact CA-O 3.44Å; I221-A229 HydrophobicContact CB-CB 4.44Å; I221-A229 WeakPolarHBondContact CB-O 3.48Å; I221-A229 PolarHBondContact N-O 2.97Å; I221-A229 PolarHBondContact O-N 2.96Å
222K92.4Very high85.1Confident95 Ų9558.9 Ų58.941%0.41330%0.3SS..EExtended strand (participates in β ladder)trans-97.5101173.6-176.1-176176.6-1670109.7S224 D225 Y228K222-S224 WeakPolarHBondContact CG-O 3.19Å; K222-D225 WeakPolarHBondContact CE-OD1 3.34Å; K222-D225 IonicContact NZ-OD1 3.36Å; K222-D225 PolarHBondContact NZ-OD1 2.63Å; K222-Y228 HydrophobicContact CB-CD1 4.15Å; K222-Y228 HydrophobicContact CB-CE1 4.1Å; K222-Y228 HydrophobicContact CD-CE1 4.07Å; K222-Y228 HydrophobicContact CG-CD1 4.1Å; K222-Y228 HydrophobicContact CG-CE1 3.69Å
223E91.3Very high86.3Confident106 Ų10657.6 Ų57.650%0.49529%0.291SS..EExtended strand (participates in β ladder)trans-75.4-36.5174.9-61.5178152.200111.5S227 A229 Q244E223-S227 PolarHBondContact N-O 3.28Å; E223-S227 PolarHBondContact OE2-OG 2.71Å; E223-A229 HydrophobicContact CG-CB 4.09Å; E223-Q244 PolarHBondContact OE2-NE2 3.03Å
224S93.4Very high87.4Confident54 Ų5450.1 Ų50.138%0.37827%0.269SS..EExtended strand (participates in β ladder)trans-155.4168.5179.6-172.10000110.5K222 S226 S227K222-S224 WeakPolarHBondContact CG-O 3.19Å; S224-S226 PolarHBondContact O-N 2.91Å; S224-S227 PolarHBondContact N-O 3.08Å; S224-S227 PolarHBondContact O-N 2.96Å
225D92.9Very high88.5Confident28 Ų2844.8 Ų44.815%0.1524%0.242CC..THydrogen-bonded Turntrans-61.9-11.7173.6-73.2-38.7000113.4Y177 K181 N184 K222 Q251Y177-D225 WeakPolarHBondContact CE2-OD2 3.47Å; Y177-D225 PolarHBondContact OH-OD2 2.83Å; K181-D225 WeakPolarHBondContact CE-OD1 3.29Å; K181-D225 IonicContact NZ-OD1 3.68Å; N184-D225 WeakPolarHBondContact CB-O 3.22Å; N184-D225 PolarHBondContact ND2-O 3.4Å; N184-D225 VanDerWaalsContact ND2-O 3.13Å; K222-D225 WeakPolarHBondContact CE-OD1 3.34Å; K222-D225 IonicContact NZ-OD1 3.36Å; K222-D225 PolarHBondContact NZ-OD1 2.63Å; D225-Q251 HydrophobicContact CB-CG 4.08Å
226S92.7Very high89.6Confident11 Ų1149.8 Ų49.88%0.07726%0.262CS..THydrogen-bonded Turntrans-124.43.8174.868.10000114.6S224 L247 K249S224-S226 PolarHBondContact O-N 2.91Å; S226-L247 WeakPolarHBondContact CB-O 3.48Å; S226-L247 PolarHBondContact O-N 3.5Å; S226-K249 WeakPolarHBondContact OG-CG 2.93Å
227S95.1Very high90.5Very high15 Ų1548.7 Ų48.711%0.10526%0.255CS..EExtended strand (participates in β ladder)trans-132.8121.5-179.4-166.20000109.9E223 S224 Q244 L245E223-S227 PolarHBondContact N-O 3.28Å; E223-S227 PolarHBondContact OE2-OG 2.71Å; S224-S227 PolarHBondContact N-O 3.08Å; S224-S227 PolarHBondContact O-N 2.96Å; S227-Q244 PolarHBondContact OG-NE2 3.13Å; S227-L245 WeakPolarHBondContact CA-O 3.2Å
228Y95.7Very high91.4Very high2 Ų243.8 Ų43.81%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-123.8141.3178.1-61.6-93.8000108.8N184 F185 A188 M220 I221 K222 Q244 L245 L247N184-Y228 HydrophobicContact CB-CE2 4.39Å; F185-Y228 HydrophobicContact CD2-CE1 4.15Å; A188-Y228 HydrophobicContact CB-CD1 4.09Å; A188-Y228 HydrophobicContact CB-CD2 3.57Å; A188-Y228 HydrophobicContact CB-CE1 4.43Å; A188-Y228 HydrophobicContact CB-CE2 3.98Å; A188-Y228 HydrophobicContact CB-CG 3.64Å; M220-Y228 HydrophobicContact CE-CD1 3.71Å; M220-Y228 HydrophobicContact CE-CE1 4.15Å; M220-Y228 HydrophobicContact CE-CG 4.44Å; M220-Y228 HydrophobicContact CG-CD1 4.29Å; M220-Y228 HydrophobicContact SD-CD1 3.91Å; M220-Y228 HydrophobicContact SD-CG 4.14Å; I221-Y228 CarbonylContact O-C 3.49Å; I221-Y228 WeakPolarHBondContact O-CA 3.49Å; K222-Y228 HydrophobicContact CB-CD1 4.15Å; K222-Y228 HydrophobicContact CB-CE1 4.1Å; K222-Y228 HydrophobicContact CD-CE1 4.07Å; K222-Y228 HydrophobicContact CG-CD1 4.1Å; K222-Y228 HydrophobicContact CG-CE1 3.69Å; Y228-Q244 CarbonylContact O-C 3.56Å; Y228-Q244 WeakPolarHBondContact O-CA 3.29Å; Y228-L245 PolarHBondContact N-O 3.43Å; Y228-L245 PolarHBondContact O-N 2.89Å; Y228-L247 HydrophobicContact CD2-CD1 4.04Å; Y228-L247 HydrophobicContact CE2-CD1 3.96Å
229A95Very high92.1Very high3 Ų345.7 Ų45.73%0.02524%0.243CC..EExtended strand (participates in β ladder)trans-132141.4-176.400000110.4I221 E223 L242 A243I221-A229 WeakPolarHBondContact CA-O 3.44Å; I221-A229 HydrophobicContact CB-CB 4.44Å; I221-A229 WeakPolarHBondContact CB-O 3.48Å; I221-A229 PolarHBondContact N-O 2.97Å; I221-A229 PolarHBondContact O-N 2.96Å; E223-A229 HydrophobicContact CG-CB 4.09Å; A229-L242 HydrophobicContact CB-CD1 4.08Å; A229-A243 CarbonylContact C-O 3.56Å; A229-A243 WeakPolarHBondContact CA-O 3.42Å
230I94.4Very high92.6Very high0 Ų043.2 Ų43.20%023%0.228CC..EExtended strand (participates in β ladder)trans-129.7123.9174.6-64.1149.9000107.1W191 F192 M220 A243 L245W191-I230 HydrophobicContact CE3-CD1 3.93Å; W191-I230 HydrophobicContact CZ3-CD1 3.53Å; F192-I230 HydrophobicContact CB-CD1 4.12Å; F192-I230 HydrophobicContact CD2-CD1 3.35Å; F192-I230 HydrophobicContact CD2-CG1 4.06Å; F192-I230 HydrophobicContact CE2-CD1 4.01Å; F192-I230 HydrophobicContact CE2-CG1 4.26Å; F192-I230 HydrophobicContact CE2-CG2 4.12Å; F192-I230 HydrophobicContact CG-CD1 4.01Å; M220-I230 HydrophobicContact CB-CG1 4.11Å; M220-I230 HydrophobicContact CG-CD1 4.21Å; M220-I230 HydrophobicContact CG-CG1 3.9Å; M220-I230 HydrophobicContact SD-CD1 4.49Å; I230-A243 HydrophobicContact CB-CB 4.42Å; I230-A243 PolarHBondContact N-O 3.3Å; I230-A243 PolarHBondContact O-N 3.31Å; I230-L245 HydrophobicContact CD1-CD1 4.29Å
231W93.9Very high92.9Very high96 Ų9641.6 Ų41.636%0.36422%0.22SC..EExtended strand (participates in β ladder)trans-100.7130.3175.9-170-104.5000110.1G207 L242G207-W231 WeakPolarHBondContact CA-O 3.49Å; G207-W231 PolarHBondContact N-O 3.45Å; W231-L242 HydrophobicContact CE3-CB 3.8Å; W231-L242 HydrophobicContact CE3-CD1 3.9Å; W231-L242 HydrophobicContact CE3-CG 4.39Å; W231-L242 HydrophobicContact CZ3-CB 3.73Å; W231-L242 HydrophobicContact CZ3-CD1 4.41Å; W231-L242 HydrophobicContact CZ3-CG 4.49Å
232C93.4Very high93Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-126.6142.3174.8-51.60000110.4F203 I205 G240 M241F203-C232 HydrophobicContact CB-CB 4.14Å; F203-C232 HydrophobicContact CD1-CB 4.09Å; F203-C232 HydrophobicContact CD2-CB 3.56Å; F203-C232 HydrophobicContact CE1-CB 4.4Å; F203-C232 HydrophobicContact CE2-CB 3.86Å; F203-C232 HydrophobicContact CG-CB 3.69Å; F203-C232 HydrophobicContact CZ-CB 4.31Å; I205-C232 CarbonylContact O-C 3.59Å; I205-C232 VanDerWaalsContact O-CA 3.25Å; I205-C232 WeakPolarHBondContact O-CA 3.47Å; C232-G240 CarbonylContact O-C 3.3Å; C232-G240 WeakPolarHBondContact O-CA 3.1Å; C232-M241 HydrophobicContact CB-CB 4.36Å; C232-M241 HydrophobicContact CB-CE 3.92Å; C232-M241 PolarHBondContact N-O 2.95Å; C232-M241 PolarHBondContact O-N 3.23Å; C232-M241 VanDerWaalsContact SG-CE 3.55Å
233S92.5Very high93.2Very high22 Ų2236.5 Ų36.515%0.15420%0.198CC..EExtended strand (participates in β ladder)trans-146.4172.6-18072.10000112.1F203 S204 I205F203-S233 WeakPolarHBondContact CB-O 3.44Å; S204-S233 PolarHBondContact N-O 2.87Å; I205-S233 PolarHBondContact N-O 3.38Å; I205-S233 VanDerWaalsContact N-O 3.09Å; I205-S233 PolarHBondContact O-N 3.38Å
234G90.2Very high93.4Very high50 Ų5033 Ų3352%0.51518%0.181SC..  trans88.122.1177.100000115.8S204S204-G234 WeakPolarHBondContact OG-CA 3.36Å
235R92.4Very high93.6Very high51 Ų5130.5 Ų30.519%0.19216%0.164CC..  trans-98.5137.1167.3-175.9-175.2-177.796.8-3.2109.9N202 F203 G237 C238 E415N202-R235 PolarHBondContact OD1-NH1 2.94Å; F203-R235 HydrophobicContact CD1-CB 3.49Å; F203-R235 VanDerWaalsContact CD1-CB 3.49Å; F203-R235 HydrophobicContact CE1-CB 3.44Å; F203-R235 VanDerWaalsContact CE1-CB 3.44Å; F203-R235 HydrophobicContact CE1-CG 4.4Å; F203-R235 HydrophobicContact CG-CB 4.48Å; F203-R235 HydrophobicContact CZ-CB 4.43Å; R235-G237 PolarHBondContact O-N 3.33Å; R235-C238 HydrophobicContact CB-CB 4.22Å; R235-C238 PolarHBondContact O-N 3.21Å; R235-C238 VanDerWaalsContact O-N 3.16Å; R235-E415 IonicContact CZ-OE1 3.81Å; R235-E415 IonicContact NE-OE1 3.99Å; R235-E415 PolarHBondContact NE-OE1 3.35Å; R235-E415 IonicContact NH2-OE1 2.89Å; R235-E415 PolarHBondContact NH2-OE1 3.4Å
236Q90.7Very high93.7Very high167 Ų16734.1 Ų34.178%0.7818%0.178SC*.THydrogen-bonded Turntrans-58.1133.2177.2-66.2-178.8-8.300112.2C238Q236-C238 PolarHBondContact O-N 3.36Å
237G88.1Confident93.8Very high10 Ų1034.3 Ų34.310%0.10318%0.178CC..THydrogen-bonded Turntrans75.7-1-179.300000115.3R235 C275R235-G237 PolarHBondContact O-N 3.33Å; G237-C275 PolarHBondContact O-N 3.42Å
238C93.2Very high93.7Very high8 Ų834.5 Ų34.55%0.05418%0.178CC..EExtended strand (participates in β ladder)trans-117.1120.4175.3-1700000109.3R235 Q236 G240 T273 F414R235-C238 HydrophobicContact CB-CB 4.22Å; R235-C238 PolarHBondContact O-N 3.21Å; R235-C238 VanDerWaalsContact O-N 3.16Å; Q236-C238 PolarHBondContact O-N 3.36Å; C238-G240 VanDerWaalsContact C-N 3.3Å; C238-G240 VanDerWaalsContact SG-C 3.54Å; C238-G240 PolarHBondContact SG-O 3.42Å; C238-G240 VanDerWaalsContact SG-O 3.32Å; C238-T273 CarbonylContact C-O 3.38Å; C238-T273 PolarHBondContact SG-O 3.34Å; C238-F414 HydrophobicContact CB-CE2 4.06Å; C238-F414 HydrophobicContact CB-CZ 3.66Å
239L92.8Very high93.5Very high101 Ų10139.6 Ų39.653%0.52920%0.2SC..EExtended strand (participates in β ladder)trans-67.5-36.8172.6-69.5175.5000111.1T273L239-T273 HydrophobicContact CB-CG2 4.32Å; L239-T273 HydrophobicContact CD1-CG2 4.16Å; L239-T273 PolarHBondContact N-O 2.83Å
240G93.6Very high93.4Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans179.3158.3176.600000111.7C232 C238 T273C232-G240 CarbonylContact O-C 3.3Å; C232-G240 WeakPolarHBondContact O-CA 3.1Å; C238-G240 VanDerWaalsContact C-N 3.3Å; C238-G240 VanDerWaalsContact SG-C 3.54Å; C238-G240 PolarHBondContact SG-O 3.42Å; C238-G240 VanDerWaalsContact SG-O 3.32Å; G240-T273 PolarHBondContact O-N 2.98Å
241M95.3Very high93.1Very high0 Ų040.8 Ų40.80%021%0.205CC..EExtended strand (participates in β ladder)trans-118.6128.6173.3-174.1-164.370.600109.3L199 F203 C232 A243 I270 K271 F272 F411L199-M241 HydrophobicContact CD2-CE 3.54Å; L199-M241 HydrophobicContact CD2-SD 4.42Å; F203-M241 HydrophobicContact CE1-CB 4.23Å; F203-M241 HydrophobicContact CE2-CB 4.06Å; F203-M241 HydrophobicContact CE2-CE 3.77Å; F203-M241 HydrophobicContact CE2-SD 3.7Å; F203-M241 HydrophobicContact CZ-CB 3.55Å; F203-M241 HydrophobicContact CZ-CE 4.42Å; F203-M241 HydrophobicContact CZ-CG 4.29Å; F203-M241 HydrophobicContact CZ-SD 3.98Å; C232-M241 HydrophobicContact CB-CB 4.36Å; C232-M241 HydrophobicContact CB-CE 3.92Å; C232-M241 PolarHBondContact N-O 2.95Å; C232-M241 PolarHBondContact O-N 3.23Å; C232-M241 VanDerWaalsContact SG-CE 3.55Å; M241-A243 HydrophobicContact CE-CB 4.45Å; M241-I270 HydrophobicContact CG-CG2 4.18Å; M241-I270 HydrophobicContact SD-CG2 3.87Å; M241-K271 CarbonylContact C-O 3.51Å; M241-K271 VanDerWaalsContact CA-O 3.28Å; M241-K271 WeakPolarHBondContact CA-O 3.4Å; M241-F272 HydrophobicContact CB-CD1 3.88Å; M241-F272 HydrophobicContact CB-CE1 4.09Å; M241-F272 HydrophobicContact CG-CD1 3.64Å; M241-F272 HydrophobicContact CG-CE1 3.57Å; M241-F272 HydrophobicContact CG-CG 4.27Å; M241-F272 HydrophobicContact CG-CZ 4.14Å; M241-F272 HydrophobicContact SD-CD1 4.08Å; M241-F272 HydrophobicContact SD-CE1 3.35Å; M241-F272 WeakPolarHBondContact SD-CE1 3.46Å; M241-F272 HydrophobicContact SD-CZ 3.65Å; M241-F411 HydrophobicContact SD-CE2 4.28Å; M241-F411 HydrophobicContact SD-CZ 4.26Å
242L95.1Very high92.9Very high42 Ų4237.9 Ų37.922%0.2220%0.196CC..EExtended strand (participates in β ladder)trans-107.4115.7170.3179.666.1000108.9A229 W231 K271A229-L242 HydrophobicContact CB-CD1 4.08Å; W231-L242 HydrophobicContact CE3-CB 3.8Å; W231-L242 HydrophobicContact CE3-CD1 3.9Å; W231-L242 HydrophobicContact CE3-CG 4.39Å; W231-L242 HydrophobicContact CZ3-CB 3.73Å; W231-L242 HydrophobicContact CZ3-CD1 4.41Å; W231-L242 HydrophobicContact CZ3-CG 4.49Å; L242-K271 HydrophobicContact CB-CB 4.44Å; L242-K271 PolarHBondContact N-O 2.85Å; L242-K271 PolarHBondContact O-N 3.29Å
243A95.9Very high92.5Very high1 Ų139.6 Ų39.61%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-99.2112.8166.200000108.9W191 A229 I230 M241 S269W191-A243 HydrophobicContact CH2-CB 3.57Å; W191-A243 HydrophobicContact CZ3-CB 4.02Å; A229-A243 CarbonylContact C-O 3.56Å; A229-A243 WeakPolarHBondContact CA-O 3.42Å; I230-A243 HydrophobicContact CB-CB 4.42Å; I230-A243 PolarHBondContact N-O 3.3Å; I230-A243 PolarHBondContact O-N 3.31Å; M241-A243 HydrophobicContact CE-CB 4.45Å; A243-S269 CarbonylContact C-O 3.44Å; A243-S269 WeakPolarHBondContact CA-O 3.31Å
244Q95.8Very high92.1Very high31 Ų3141.5 Ų41.515%0.14522%0.218CC..EExtended strand (participates in β ladder)trans-113.6121.8-179.7-165.3179.623.700110.3E223 S227 Y228 K246 S269E223-Q244 PolarHBondContact OE2-NE2 3.03Å; S227-Q244 PolarHBondContact OG-NE2 3.13Å; Y228-Q244 CarbonylContact O-C 3.56Å; Y228-Q244 WeakPolarHBondContact O-CA 3.29Å; Q244-K246 HydrophobicContact CG-CG 4.28Å; Q244-S269 PolarHBondContact N-O 3.11Å; Q244-S269 PolarHBondContact O-N 3.28Å
245L96.1Very high91.9Very high3 Ų340.6 Ų40.62%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-98.3105.6175.2-62.389.2000108.6A188 W191 S227 Y228 I230 T267 V268A188-L245 HydrophobicContact CB-CD2 4.36Å; W191-L245 HydrophobicContact CB-CD2 3.69Å; W191-L245 HydrophobicContact CD2-CD1 4.39Å; W191-L245 HydrophobicContact CD2-CD2 3.97Å; W191-L245 HydrophobicContact CE3-CD1 3.84Å; W191-L245 HydrophobicContact CE3-CD2 4.1Å; W191-L245 HydrophobicContact CE3-CG 4.43Å; W191-L245 HydrophobicContact CG-CD2 3.8Å; W191-L245 HydrophobicContact CZ3-CD1 4.13Å; S227-L245 WeakPolarHBondContact CA-O 3.2Å; Y228-L245 PolarHBondContact N-O 3.43Å; Y228-L245 PolarHBondContact O-N 2.89Å; I230-L245 HydrophobicContact CD1-CD1 4.29Å; L245-T267 CarbonylContact C-O 3.53Å; L245-T267 WeakPolarHBondContact CA-O 3.34Å; L245-V268 HydrophobicContact CD2-CG2 4.31Å; L245-V268 HydrophobicContact CG-CG1 4.48Å; L245-V268 HydrophobicContact CG-CG2 4.23Å
246K95.1Very high91.6Very high104 Ų10439.4 Ų39.445%0.45220%0.203SC..EExtended strand (participates in β ladder)trans-96.897.4174.2-67.7-177.7-178.5176.40108.5Q244 T267Q244-K246 HydrophobicContact CG-CG 4.28Å; K246-T267 PolarHBondContact N-O 3.11Å; K246-T267 PolarHBondContact O-N 3.35Å
247L94.5Very high91.3Very high14 Ų1433.9 Ų33.97%0.07318%0.178CC..  trans-87.3156.7177.9-54.1177.9000109.9N184 L187 A188 S226 Y228 D266N184-L247 HydrophobicContact CB-CD1 3.69Å; N184-L247 WeakPolarHBondContact O-CD1 3.44Å; L187-L247 HydrophobicContact CB-CD1 4.39Å; A188-L247 HydrophobicContact CB-CD1 4.39Å; S226-L247 WeakPolarHBondContact CB-O 3.48Å; S226-L247 PolarHBondContact O-N 3.5Å; Y228-L247 HydrophobicContact CD2-CD1 4.04Å; Y228-L247 HydrophobicContact CE2-CD1 3.96Å; L247-D266 VanDerWaalsContact CA-OD1 3.3Å; L247-D266 WeakPolarHBondContact CA-OD1 3.46Å; L247-D266 HydrophobicContact CD2-CB 3.8Å
248I93.1Very high91.2Very high19 Ų1938.2 Ų38.210%0.09720%0.198CC..  trans-62.6140.9170.2-60.1162.7000108.4N184 R250 R264 D266 L393N184-I248 PolarHBondContact ND2-O 2.69Å; N184-I248 PolarHBondContact OD1-O 3.17Å; I248-R250 HydrophobicContact CB-CG 4.48Å; I248-R250 PolarHBondContact O-N 3.03Å; I248-R264 VanDerWaalsContact CD1-O 3.31Å; I248-R264 WeakPolarHBondContact CD1-O 3.36Å; I248-R264 HydrophobicContact CG1-CB 4.36Å; I248-D266 WeakPolarHBondContact CG1-OD1 3.1Å; I248-D266 PolarHBondContact N-OD1 2.84Å; I248-L393 HydrophobicContact CD1-CD2 4.35Å; I248-L393 HydrophobicContact CG2-CD2 4.05Å
249K92.8Very high90.7Very high109 Ų10938.2 Ų38.247%0.47420%0.199SC..  trans-70.868.7176.2-66.6-178.3177.8-174.40111.5S226 Q251 D252S226-K249 WeakPolarHBondContact OG-CG 2.93Å; K249-Q251 VanDerWaalsContact C-OE1 3.26Å; K249-Q251 VanDerWaalsContact CA-OE1 3.31Å; K249-Q251 PolarHBondContact O-N 2.83Å; K249-D252 HydrophobicContact CB-CB 4.27Å; K249-D252 PolarHBondContact O-N 3.41Å
250R91.6Very high90.2Very high13 Ų1338.7 Ų38.75%0.04920%0.197CC..THydrogen-bonded Turntrans-63.8-27.7-179.3-65.1-178.4177.278.52.8112.6N176 N184 I248 D252 D266 R392 L393N176-R250 PolarHBondContact ND2-O 3.4Å; N184-R250 WeakPolarHBondContact OD1-CD 3.22Å; N184-R250 PolarHBondContact OD1-NH1 3.5Å; I248-R250 HydrophobicContact CB-CG 4.48Å; I248-R250 PolarHBondContact O-N 3.03Å; R250-D252 PolarHBondContact O-N 3.33Å; R250-D266 IonicContact CZ-OD1 2.78Å; R250-D266 IonicContact CZ-OD2 3.48Å; R250-D266 IonicContact NH1-OD1 3.84Å; R250-D266 PolarHBondContact NH1-OD1 2.93Å; R250-D266 IonicContact NH1-OD2 3.98Å; R250-D266 PolarHBondContact NH1-OD2 3.46Å; R250-D266 VanDerWaalsContact NH2-CG 3.34Å; R250-D266 IonicContact NH2-OD1 2.9Å; R250-D266 PolarHBondContact NH2-OD1 3.23Å; R250-D266 IonicContact NH2-OD2 2.77Å; R250-D266 PolarHBondContact NH2-OD2 3.17Å; R250-R392 PolarHBondContact NH2-O 3.16Å; R250-R392 VanDerWaalsContact NH2-O 3.1Å; R250-L393 PolarHBondContact NE-O 2.72Å
251Q90Very high89.8Confident15 Ų1547.3 Ų47.37%0.0724%0.235CC..THydrogen-bonded Turntrans-69.7-21.2177.973.2-80.312.900113.1N176 Y177 N184 D225 K249N176-Q251 PolarHBondContact ND2-O 2.89Å; Y177-Q251 HydrophobicContact CD2-CB 3.69Å; Y177-Q251 HydrophobicContact CD2-CG 3.96Å; Y177-Q251 HydrophobicContact CE2-CB 4.13Å; Y177-Q251 HydrophobicContact CE2-CG 4.03Å; Y177-Q251 HydrophobicContact CG-CB 4.43Å; N184-Q251 PolarHBondContact ND2-OE1 2.72Å; D225-Q251 HydrophobicContact CB-CG 4.08Å; K249-Q251 VanDerWaalsContact C-OE1 3.26Å; K249-Q251 VanDerWaalsContact CA-OE1 3.31Å; K249-Q251 PolarHBondContact O-N 2.83Å
252D89.6Confident89.3Confident35 Ų3554.4 Ų54.419%0.18726%0.262CS..  trans-103.4112.8179.9170.720.5000110.3K249 R250 S254 S255 V256K249-D252 HydrophobicContact CB-CB 4.27Å; K249-D252 PolarHBondContact O-N 3.41Å; R250-D252 PolarHBondContact O-N 3.33Å; D252-S254 VanDerWaalsContact C-N 3.26Å; D252-S254 PolarHBondContact O-N 3.31Å; D252-S254 WeakPolarHBondContact OD1-CB 3.23Å; D252-S254 PolarHBondContact OD1-N 2.96Å; D252-S254 PolarHBondContact OD1-OG 2.95Å; D252-S254 PolarHBondContact OD2-OG 3.47Å; D252-S255 PolarHBondContact O-N 2.86Å; D252-S255 WeakPolarHBondContact OD2-CB 3.42Å; D252-S255 PolarHBondContact OD2-N 3.11Å; D252-S255 PolarHBondContact OD2-OG 3.26Å; D252-V256 WeakPolarHBondContact O-CG2 3.39Å; D252-V256 PolarHBondContact O-N 2.94Å
253L84.7Confident88.8Confident36 Ų3655.7 Ų55.719%0.18827%0.273CS..Hα-helixtrans-59.6-36.6-179.4-75.6179.1000112.4Y173 N176 S255 V256 L257Y173-L253 HydrophobicContact CD2-CB 4.47Å; Y173-L253 HydrophobicContact CD2-CD1 3.9Å; Y173-L253 HydrophobicContact CD2-CG 4.26Å; N176-L253 HydrophobicContact CB-CD1 4.47Å; N176-L253 HydrophobicContact CB-CD2 3.78Å; N176-L253 HydrophobicContact CB-CG 4.07Å; N176-L253 WeakPolarHBondContact ND2-CD2 3.4Å; L253-S255 PolarHBondContact O-N 2.86Å; L253-V256 PolarHBondContact O-N 3.04Å; L253-L257 WeakPolarHBondContact O-CB 3.28Å; L253-L257 WeakPolarHBondContact O-CD1 2.79Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 3.34Å
254S84.3Confident88.4Confident62 Ų6263 Ų6343%0.43430%0.3SS..Hα-helixtrans-64-45.2-179.670.80000111D252 V256 L257 I258D252-S254 VanDerWaalsContact C-N 3.26Å; D252-S254 PolarHBondContact O-N 3.31Å; D252-S254 WeakPolarHBondContact OD1-CB 3.23Å; D252-S254 PolarHBondContact OD1-N 2.96Å; D252-S254 PolarHBondContact OD1-OG 2.95Å; D252-S254 PolarHBondContact OD2-OG 3.47Å; S254-V256 VanDerWaalsContact C-N 3.34Å; S254-V256 PolarHBondContact O-N 3.2Å; S254-L257 PolarHBondContact O-N 2.86Å; S254-I258 VanDerWaalsContact O-CG1 3.28Å; S254-I258 WeakPolarHBondContact O-CG1 3.45Å; S254-I258 PolarHBondContact O-N 3.33Å
255S85.2Confident88.2Confident31 Ų3166 Ų6622%0.21731%0.311CS..Hα-helixtrans-61.8-38.7174.2-71.20000112.7D252 L253 G259D252-S255 PolarHBondContact O-N 2.86Å; D252-S255 WeakPolarHBondContact OD2-CB 3.42Å; D252-S255 PolarHBondContact OD2-N 3.11Å; D252-S255 PolarHBondContact OD2-OG 3.26Å; L253-S255 PolarHBondContact O-N 2.86Å; S255-G259 PolarHBondContact O-N 3.34Å
256V85.5Confident88.2Confident27 Ų2765.9 Ų65.916%0.16431%0.31CS..Hα-helixtrans-67.4-42.8176.5173.60000111.3D252 L253 S254 G259 F260D252-V256 WeakPolarHBondContact O-CG2 3.39Å; D252-V256 PolarHBondContact O-N 2.94Å; L253-V256 PolarHBondContact O-N 3.04Å; S254-V256 VanDerWaalsContact C-N 3.34Å; S254-V256 PolarHBondContact O-N 3.2Å; V256-G259 WeakPolarHBondContact O-CA 3Å; V256-G259 PolarHBondContact O-N 3.38Å; V256-G259 VanDerWaalsContact O-N 3.11Å; V256-F260 HydrophobicContact CG1-CE2 3.95Å; V256-F260 VanDerWaalsContact O-CD2 3.26Å; V256-F260 WeakPolarHBondContact O-CD2 3.46Å; V256-F260 PolarHBondContact O-N 2.89Å
257L85.8Confident88.2Confident51 Ų5162.4 Ų62.427%0.26730%0.298SS..Hα-helixtrans-62.1-48.4177.1-71.2163.7000111.7V27 L253 S254 G259 F260V27-L257 HydrophobicContact CG1-CD1 3.69Å; V27-L257 HydrophobicContact CG1-CD2 4.34Å; L253-L257 WeakPolarHBondContact O-CB 3.28Å; L253-L257 WeakPolarHBondContact O-CD1 2.79Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 3.34Å; S254-L257 PolarHBondContact O-N 2.86Å; L257-G259 PolarHBondContact O-N 2.9Å; L257-F260 WeakPolarHBondContact O-CB 3.29Å; L257-F260 PolarHBondContact O-N 2.68Å; L257-F260 VanDerWaalsContact O-N 3.11Å
258I86.1Confident88.3Confident100 Ų10061.8 Ų61.851%0.51330%0.295SS..Hα-helixtrans-60.2-35.1173.6-65.5165.2000110.5S254 F260 F261 R262S254-I258 VanDerWaalsContact O-CG1 3.28Å; S254-I258 WeakPolarHBondContact O-CG1 3.45Å; S254-I258 PolarHBondContact O-N 3.33Å; I258-F260 PolarHBondContact O-N 2.86Å; I258-F261 PolarHBondContact O-N 3.26Å; I258-F261 VanDerWaalsContact O-N 3.13Å; I258-R262 PolarHBondContact O-N 2.87Å
259G81.5Confident88.4Confident8 Ų861.9 Ų61.98%0.08230%0.297CS..Hα-helixtrans-61-25.6176.800000114.6S255 V256 L257 R262 P263S255-G259 PolarHBondContact O-N 3.34Å; V256-G259 WeakPolarHBondContact O-CA 3Å; V256-G259 PolarHBondContact O-N 3.38Å; V256-G259 VanDerWaalsContact O-N 3.11Å; L257-G259 PolarHBondContact O-N 2.9Å; G259-R262 CarbonylContact O-C 3.59Å; G259-R262 VanDerWaalsContact O-C 3.3Å; G259-P263 WeakPolarHBondContact O-CA 3.23Å
260F82.5Confident88.6Confident111 Ų11156.7 Ų56.749%0.48728%0.275SS..Hα-helixtrans-69.8-38173.4-76.1-76000112.3I24 V256 L257 I258I24-F260 HydrophobicContact CD1-CE1 4.43Å; I24-F260 HydrophobicContact CD1-CE2 4.12Å; I24-F260 HydrophobicContact CD1-CZ 3.94Å; V256-F260 HydrophobicContact CG1-CE2 3.95Å; V256-F260 VanDerWaalsContact O-CD2 3.26Å; V256-F260 WeakPolarHBondContact O-CD2 3.46Å; V256-F260 PolarHBondContact O-N 2.89Å; L257-F260 WeakPolarHBondContact O-CB 3.29Å; L257-F260 PolarHBondContact O-N 2.68Å; L257-F260 VanDerWaalsContact O-N 3.11Å; I258-F260 PolarHBondContact O-N 2.86Å
261F86.3Confident88.9Confident181 Ų18157.9 Ų57.979%0.79428%0.28SS*.Hα-helixtrans-78.9-35.5175.5-63.3-76.2000112.2I258I258-F261 PolarHBondContact O-N 3.26Å; I258-F261 VanDerWaalsContact O-N 3.13Å
262R84.9Confident89.2Confident149 Ų14957.2 Ų57.256%0.56228%0.277SS*.SBendtrans-126.386.9-178.4-166.6174179136.2-8.9110.5I258 G259 R264I258-R262 PolarHBondContact O-N 2.87Å; G259-R262 CarbonylContact O-C 3.59Å; G259-R262 VanDerWaalsContact O-C 3.3Å; R262-R264 PolarHBondContact O-N 3.47Å
263P84.4Confident89.5Confident70 Ų7056.8 Ų56.846%0.45528%0.275SS..  trans-61.3127-178.423.3-32.6000110.8G259G259-P263 WeakPolarHBondContact O-CA 3.23Å
264R87.8Confident90Very high154 Ų15455.1 Ų55.158%0.58127%0.267SS*.  trans-111.7155.7171.9-66.6-176.4-179.41680.2109.5I248 R262I248-R264 VanDerWaalsContact CD1-O 3.31Å; I248-R264 WeakPolarHBondContact CD1-O 3.36Å; I248-R264 HydrophobicContact CG1-CB 4.36Å; R262-R264 PolarHBondContact O-N 3.47Å
265Y91.4Very high90.3Very high94 Ų9453.9 Ų53.937%0.36926%0.258SS..  trans-100.9150.3171-65.5-92.6000108.4N388 R392Y265-N388 HydrophobicContact CD1-CB 4.47Å; Y265-N388 HydrophobicContact CG-CB 4.3Å; Y265-R392 HydrophobicContact CD1-CG 3.67Å; Y265-R392 HydrophobicContact CE1-CG 3.44Å; Y265-R392 VanDerWaalsContact CE1-CG 3.44Å; Y265-R392 HydrophobicContact CG-CG 4.33Å; Y265-R392 VanDerWaalsContact CZ-NE 3.34Å; Y265-R392 PolarHBondContact OH-NE 2.97Å; Y265-R392 PolarHBondContact OH-NH2 3.25Å
266D94.6Very high90.4Very high0 Ų056.6 Ų56.60%028%0.275CS..  trans-68.3144.4160.4-60-47.8000107.9L247 I248 R250 N388 V389 A395L247-D266 VanDerWaalsContact CA-OD1 3.3Å; L247-D266 WeakPolarHBondContact CA-OD1 3.46Å; L247-D266 HydrophobicContact CD2-CB 3.8Å; I248-D266 WeakPolarHBondContact CG1-OD1 3.1Å; I248-D266 PolarHBondContact N-OD1 2.84Å; R250-D266 IonicContact CZ-OD1 2.78Å; R250-D266 IonicContact CZ-OD2 3.48Å; R250-D266 IonicContact NH1-OD1 3.84Å; R250-D266 PolarHBondContact NH1-OD1 2.93Å; R250-D266 IonicContact NH1-OD2 3.98Å; R250-D266 PolarHBondContact NH1-OD2 3.46Å; R250-D266 VanDerWaalsContact NH2-CG 3.34Å; R250-D266 IonicContact NH2-OD1 2.9Å; R250-D266 PolarHBondContact NH2-OD1 3.23Å; R250-D266 IonicContact NH2-OD2 2.77Å; R250-D266 PolarHBondContact NH2-OD2 3.17Å; D266-N388 WeakPolarHBondContact O-CA 3.42Å; D266-V389 HydrophobicContact CB-CB 3.95Å; D266-V389 HydrophobicContact CB-CG2 3.75Å; D266-V389 PolarHBondContact O-N 3.28Å; D266-A395 WeakPolarHBondContact OD2-CB 3.37Å
267T95.2Very high90.6Very high31 Ų3164.1 Ų64.119%0.1931%0.308CS..EExtended strand (participates in β ladder)trans-126.3142.6-178.5650000112.3L245 K246 L387 N388L245-T267 CarbonylContact C-O 3.53Å; L245-T267 WeakPolarHBondContact CA-O 3.34Å; K246-T267 PolarHBondContact N-O 3.11Å; K246-T267 PolarHBondContact O-N 3.35Å; T267-L387 CarbonylContact C-O 3.55Å; T267-L387 WeakPolarHBondContact CA-O 3.32Å; T267-N388 WeakPolarHBondContact CG2-OD1 3.43Å
268V96.8Very high90.7Very high1 Ų164.5 Ų64.51%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-115.6112.5172.8-178.60000107.3W191 L245 I270 L387 V389 L403W191-V268 HydrophobicContact CZ2-CG1 3.79Å; L245-V268 HydrophobicContact CD2-CG2 4.31Å; L245-V268 HydrophobicContact CG-CG1 4.48Å; L245-V268 HydrophobicContact CG-CG2 4.23Å; V268-I270 HydrophobicContact CG1-CG1 4.37Å; V268-L387 HydrophobicContact CB-CB 4.41Å; V268-L387 PolarHBondContact N-O 3.31Å; V268-L387 PolarHBondContact O-N 3.01Å; V268-V389 HydrophobicContact CG2-CG2 4.12Å; V268-L403 HydrophobicContact CG2-CD1 4.3Å
269S96.4Very high90.9Very high21 Ų2159.8 Ų59.815%0.14728%0.284CS..EExtended strand (participates in β ladder)trans-102.8115.2179.51750000109.7A243 Q244A243-S269 CarbonylContact C-O 3.44Å; A243-S269 WeakPolarHBondContact CA-O 3.31Å; Q244-S269 PolarHBondContact N-O 3.11Å; Q244-S269 PolarHBondContact O-N 3.28Å
270I97.2Very high91.4Very high1 Ų160.1 Ų60.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-103.9109.1175.8-57.8158.7000107.4M241 V268 F272 I384 L385 L387 L407 A410M241-I270 HydrophobicContact CG-CG2 4.18Å; M241-I270 HydrophobicContact SD-CG2 3.87Å; V268-I270 HydrophobicContact CG1-CG1 4.37Å; I270-F272 HydrophobicContact CG2-CD2 4.21Å; I270-F272 HydrophobicContact CG2-CE2 3.52Å; I270-F272 HydrophobicContact CG2-CZ 3.75Å; I270-I384 WeakPolarHBondContact O-CA 3.16Å; I270-L385 PolarHBondContact N-O 2.78Å; I270-L385 PolarHBondContact O-N 2.94Å; I270-L387 HydrophobicContact CD1-CD1 4.24Å; I270-L407 HydrophobicContact CD1-CD1 3.74Å; I270-L407 HydrophobicContact CG1-CD1 4.44Å; I270-A410 HydrophobicContact CD1-CB 4.06Å; I270-A410 HydrophobicContact CG2-CB 4.31Å
271K96.9Very high91.8Very high37 Ų3755.7 Ų55.716%0.16127%0.267CS..EExtended strand (participates in β ladder)trans-112.1116.1179.9173.2177.5178.1-173.90109.8M241 L242 V383 I384M241-K271 CarbonylContact C-O 3.51Å; M241-K271 VanDerWaalsContact CA-O 3.28Å; M241-K271 WeakPolarHBondContact CA-O 3.4Å; L242-K271 HydrophobicContact CB-CB 4.44Å; L242-K271 PolarHBondContact N-O 2.85Å; L242-K271 PolarHBondContact O-N 3.29Å; K271-V383 CarbonylContact C-O 3.53Å; K271-V383 WeakPolarHBondContact CA-O 3.36Å; K271-I384 HydrophobicContact CB-CG1 4.14Å; K271-I384 HydrophobicContact CD-CD1 4.49Å; K271-I384 HydrophobicContact CD-CG1 4.3Å; K271-I384 HydrophobicContact CG-CG1 3.87Å
272F96.8Very high92.1Very high1 Ų147.1 Ų47.10%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-94.2133.5167.3-58.6-86.9000109.7F203 M241 I270 L274 V382 V383 A410 F411 F414F203-F272 HydrophobicContact CZ-CD1 4.5Å; F203-F272 HydrophobicContact CZ-CE1 4.15Å; M241-F272 HydrophobicContact CB-CD1 3.88Å; M241-F272 HydrophobicContact CB-CE1 4.09Å; M241-F272 HydrophobicContact CG-CD1 3.64Å; M241-F272 HydrophobicContact CG-CE1 3.57Å; M241-F272 HydrophobicContact CG-CG 4.27Å; M241-F272 HydrophobicContact CG-CZ 4.14Å; M241-F272 HydrophobicContact SD-CD1 4.08Å; M241-F272 HydrophobicContact SD-CE1 3.35Å; M241-F272 WeakPolarHBondContact SD-CE1 3.46Å; M241-F272 HydrophobicContact SD-CZ 3.65Å; I270-F272 HydrophobicContact CG2-CD2 4.21Å; I270-F272 HydrophobicContact CG2-CE2 3.52Å; I270-F272 HydrophobicContact CG2-CZ 3.75Å; F272-L274 HydrophobicContact CB-CD1 4.26Å; F272-V382 VanDerWaalsContact O-CA 3.24Å; F272-V382 WeakPolarHBondContact O-CA 3.48Å; F272-V383 HydrophobicContact CB-CB 4.33Å; F272-V383 HydrophobicContact CD2-CB 4.38Å; F272-V383 HydrophobicContact CD2-CG1 4.38Å; F272-V383 PolarHBondContact N-O 2.73Å; F272-V383 PolarHBondContact O-N 2.96Å; F272-A410 HydrophobicContact CE2-CB 4.02Å; F272-A410 HydrophobicContact CZ-CB 4.35Å; F272-F411 HydrophobicContact CE1-CD1 4.42Å; F272-F411 HydrophobicContact CE1-CD2 4.47Å; F272-F411 HydrophobicContact CE1-CE1 4.25Å; F272-F411 HydrophobicContact CE1-CE2 4.31Å; F272-F411 HydrophobicContact CE1-CZ 4.25Å; F272-F411 AromaticContact CZ-CD2 3.94Å; F272-F411 HydrophobicContact CZ-CD2 3.94Å; F272-F411 HydrophobicContact CZ-CE2 4.05Å; F272-F411 HydrophobicContact CZ-CG 4.25Å; F272-F411 HydrophobicContact CZ-CZ 4.44Å; F272-F414 HydrophobicContact CB-CD2 3.53Å; F272-F414 HydrophobicContact CB-CE2 3.93Å; F272-F414 HydrophobicContact CB-CG 4.49Å; F272-F414 AromaticContact CD1-CD2 3.88Å; F272-F414 HydrophobicContact CD1-CD2 3.88Å; F272-F414 HydrophobicContact CD1-CE2 4.32Å; F272-F414 HydrophobicContact CD1-CG 4.16Å; F272-F414 HydrophobicContact CD2-CB 4.06Å; F272-F414 HydrophobicContact CD2-CD2 4.2Å; F272-F414 HydrophobicContact CD2-CG 4.43Å; F272-F414 HydrophobicContact CE2-CB 4.16Å; F272-F414 HydrophobicContact CG-CB 4.25Å; F272-F414 AromaticContact CG-CD2 3.61Å; F272-F414 HydrophobicContact CG-CD2 3.61Å; F272-F414 HydrophobicContact CG-CE2 4.29Å; F272-F414 HydrophobicContact CG-CG 4.12Å; F272-F414 HydrophobicContact CZ-CB 4.44Å
273T95.4Very high92.4Very high26 Ų2640 Ų4016%0.1620%0.202CC..EExtended strand (participates in β ladder)trans-104.5121.3168.8-50.60000107.9C238 L239 G240C238-T273 CarbonylContact C-O 3.38Å; C238-T273 PolarHBondContact SG-O 3.34Å; L239-T273 HydrophobicContact CB-CG2 4.32Å; L239-T273 HydrophobicContact CD1-CG2 4.16Å; L239-T273 PolarHBondContact N-O 2.83Å; G240-T273 PolarHBondContact O-N 2.98Å
274L94.4Very high92.8Very high2 Ų236.7 Ų36.71%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-92154-176.2-76.675.1000110.4F272 M279 K381 V383 F414 R418F272-L274 HydrophobicContact CB-CD1 4.26Å; L274-M279 HydrophobicContact CD2-CB 3.85Å; L274-M279 HydrophobicContact CD2-CG 4.36Å; L274-M279 HydrophobicContact CD2-SD 3.93Å; L274-K381 HydrophobicContact CB-CB 4.02Å; L274-K381 PolarHBondContact N-O 3.06Å; L274-V383 HydrophobicContact CD1-CB 4.37Å; L274-V383 HydrophobicContact CD1-CG2 3.82Å; L274-F414 HydrophobicContact CD1-CD2 3.93Å; L274-F414 HydrophobicContact CD1-CE2 3.7Å; L274-F414 HydrophobicContact CD2-CE2 4.28Å; L274-F414 HydrophobicContact CG-CD2 4.29Å; L274-F414 HydrophobicContact CG-CE2 3.65Å; L274-F414 HydrophobicContact CG-CZ 4.49Å; L274-R418 HydrophobicContact CD2-CB 4.22Å
275C92.5Very high93.1Very high35 Ų3529.3 Ų29.324%0.23615%0.153CC..  trans-63.3141.9168.1-62.10000110.1G237 E277 E278G237-C275 PolarHBondContact O-N 3.42Å; C275-E277 PolarHBondContact O-N 3.32Å; C275-E277 VanDerWaalsContact O-N 3.08Å; C275-E278 HydrophobicContact CB-CB 4.46Å; C275-E278 HydrophobicContact CB-CG 3.93Å; C275-E278 PolarHBondContact O-N 3.29Å
276P87Confident93.2Very high88 Ų8824.9 Ų24.957%0.57114%0.135SC*.THydrogen-bonded Turntrans-57.1-26.4-177.9-27.635.1000114.9K381P276-K381 WeakPolarHBondContact O-CE 3.32Å; P276-K381 PolarHBondContact O-NZ 3.19Å
277E88.6Confident93.2Very high186 Ų18624.9 Ų24.987%0.86914%0.135SC*.THydrogen-bonded Turntrans-85.6-18-176-62.3176.7-17600113.6C275C275-E277 PolarHBondContact O-N 3.32Å; C275-E277 VanDerWaalsContact O-N 3.08Å
278E87.8Confident93.1Very high58 Ų5825 Ų2527%0.27113%0.134SC..THydrogen-bonded Turntrans-84.5-30.1-164.1-77.3-81.8-166.700113.5C275 R418 R421C275-E278 HydrophobicContact CB-CB 4.46Å; C275-E278 HydrophobicContact CB-CG 3.93Å; C275-E278 PolarHBondContact O-N 3.29Å; E278-R418 HydrophobicContact CB-CG 3.99Å; E278-R418 IonicContact OE1-NH1 3.98Å; E278-R418 IonicContact OE2-NH1 3.87Å; E278-R421 VanDerWaalsContact O-CZ 3.24Å; E278-R421 PolarHBondContact O-NH1 2.78Å; E278-R421 PolarHBondContact O-NH2 3.46Å
279M90.6Very high92.8Very high2 Ų232.7 Ų32.71%0.0116%0.163CC..SBendtrans-114.6137.1-173.1-178.9-178.292.300112L274 Y282 I358 D360 K381L274-M279 HydrophobicContact CD2-CB 3.85Å; L274-M279 HydrophobicContact CD2-CG 4.36Å; L274-M279 HydrophobicContact CD2-SD 3.93Å; M279-Y282 HydrophobicContact CG-CE1 3.97Å; M279-I358 HydrophobicContact SD-CG2 4.09Å; M279-D360 HydrophobicContact CE-CB 3.67Å; M279-K381 HydrophobicContact CB-CD 4.03Å; M279-K381 HydrophobicContact CE-CB 3.77Å; M279-K381 HydrophobicContact CE-CD 4.14Å; M279-K381 HydrophobicContact CE-CG 4.05Å; M279-K381 PolarHBondContact O-NZ 2.94Å
280D92.3Very high92.4Very high15 Ų1542.3 Ų42.38%0.0820%0.196CC..  trans-70.2156.8174.5-79.810.3000111.8Y282 R421 L422D280-Y282 HydrophobicContact CB-CD1 4.3Å; D280-Y282 HydrophobicContact CB-CE1 4.39Å; D280-Y282 WeakPolarHBondContact O-CD1 3.45Å; D280-Y282 WeakPolarHBondContact O-CE1 3.28Å; D280-Y282 PolarHBondContact O-N 2.95Å; D280-Y282 VanDerWaalsContact O-N 3.12Å; D280-R421 WeakPolarHBondContact OD1-CD 3.49Å; D280-R421 IonicContact OD1-CZ 3.72Å; D280-R421 IonicContact OD1-NE 3.47Å; D280-R421 IonicContact OD1-NH1 3.24Å; D280-R421 PolarHBondContact OD1-NH1 3.06Å; D280-R421 WeakPolarHBondContact OD2-CA 3.5Å; D280-L422 HydrophobicContact CB-CD1 3.99Å; D280-L422 HydrophobicContact CB-CG 3.86Å; D280-L422 PolarHBondContact OD2-N 3.5Å
281P91Very high92.1Very high18 Ų1843.7 Ų43.712%0.11721%0.205CC..SBendtrans-71.1103.1-178.324.7-31.6000112.2L422 A430 R434P281-L422 WeakPolarHBondContact O-CD1 3.29Å; P281-A430 HydrophobicContact CB-CB 4.38Å; P281-A430 HydrophobicContact CG-CB 4.26Å; P281-A430 WeakPolarHBondContact O-CB 3.5Å; P281-R434 VanDerWaalsContact CB-CZ 3.49Å; P281-R434 PolarHBondContact O-NH2 3.43Å
282Y91.9Very high91.8Very high0 Ų041.9 Ų41.90%020%0.198CC..  trans-154.2151.8168.659-92.1000112.4M279 D280 V333 I358 D360 A417 F420 L422M279-Y282 HydrophobicContact CG-CE1 3.97Å; D280-Y282 HydrophobicContact CB-CD1 4.3Å; D280-Y282 HydrophobicContact CB-CE1 4.39Å; D280-Y282 WeakPolarHBondContact O-CD1 3.45Å; D280-Y282 WeakPolarHBondContact O-CE1 3.28Å; D280-Y282 PolarHBondContact O-N 2.95Å; D280-Y282 VanDerWaalsContact O-N 3.12Å; Y282-V333 HydrophobicContact CD1-CG2 4.4Å; Y282-V333 HydrophobicContact CD2-CB 4.36Å; Y282-V333 HydrophobicContact CD2-CG1 3.46Å; Y282-V333 VanDerWaalsContact CD2-CG1 3.46Å; Y282-V333 HydrophobicContact CD2-CG2 3.89Å; Y282-V333 HydrophobicContact CE2-CG1 3.72Å; Y282-V333 HydrophobicContact CG-CG1 4.21Å; Y282-V333 HydrophobicContact CG-CG2 3.76Å; Y282-I358 HydrophobicContact CD2-CG2 4.43Å; Y282-I358 HydrophobicContact CE2-CG2 3.68Å; Y282-D360 PolarHBondContact N-OD1 2.83Å; Y282-D360 PolarHBondContact O-N 3.25Å; Y282-A417 VanDerWaalsContact OH-CA 3.24Å; Y282-A417 WeakPolarHBondContact OH-CA 3.2Å; Y282-A417 PolarHBondContact OH-O 3.09Å; Y282-F420 HydrophobicContact CD1-CD1 4.49Å; Y282-F420 AromaticContact CE1-CD1 3.9Å; Y282-F420 HydrophobicContact CE1-CD1 3.9Å; Y282-L422 HydrophobicContact CD1-CD1 4.19Å; Y282-L422 HydrophobicContact CD1-CD2 4.02Å; Y282-L422 HydrophobicContact CD1-CG 4.18Å; Y282-L422 HydrophobicContact CG-CD2 4.47Å
283V92Very high91.5Very high0 Ų045.4 Ų45.40%022%0.219CC..EExtended strand (participates in β ladder)trans-116.2131.6173.1-175.30000110.6L302 E329 Q361V283-L302 HydrophobicContact CG1-CD2 3.63Å; V283-E329 PolarHBondContact N-OE2 3.47Å; V283-E329 PolarHBondContact O-N 2.92Å; V283-Q361 HydrophobicContact CG2-CG 4.49Å
284F92.7Very high91.2Very high0 Ų049.7 Ų49.70%024%0.235CC..EExtended strand (participates in β ladder)trans-149.3134.7-176.9171.6-99000111.6V286 V326 Y327 V333 A334 I337 V338 L356 I358F284-V286 HydrophobicContact CE1-CB 4.09Å; F284-V286 HydrophobicContact CE1-CG1 3.52Å; F284-V286 HydrophobicContact CZ-CB 3.73Å; F284-V286 HydrophobicContact CZ-CG1 3.57Å; F284-V326 HydrophobicContact CD2-CG1 4.37Å; F284-V326 HydrophobicContact CE2-CG1 3.53Å; F284-V326 HydrophobicContact CZ-CG1 4.22Å; F284-Y327 WeakPolarHBondContact CA-O 3.4Å; F284-V333 HydrophobicContact CB-CG1 3.65Å; F284-V333 HydrophobicContact CD2-CG1 4.14Å; F284-V333 HydrophobicContact CG-CG1 3.95Å; F284-A334 HydrophobicContact CD2-CB 4.28Å; F284-A334 HydrophobicContact CE2-CB 3.8Å; F284-I337 HydrophobicContact CD1-CB 4.38Å; F284-I337 HydrophobicContact CD1-CG2 4.02Å; F284-I337 HydrophobicContact CE1-CB 4.05Å; F284-I337 HydrophobicContact CE1-CG2 3.56Å; F284-I337 HydrophobicContact CZ-CB 4.42Å; F284-I337 HydrophobicContact CZ-CG2 4.28Å; F284-V338 HydrophobicContact CE2-CG2 4.39Å; F284-V338 HydrophobicContact CZ-CG2 3.65Å; F284-L356 HydrophobicContact CE1-CD2 4.17Å; F284-I358 HydrophobicContact CB-CB 4.47Å; F284-I358 HydrophobicContact CD1-CD1 4.13Å; F284-I358 HydrophobicContact CD1-CG1 4.38Å; F284-I358 PolarHBondContact N-O 3.09Å; F284-I358 PolarHBondContact O-N 2.76Å
285A93.6Very high90.9Very high0 Ų050.5 Ų50.50%024%0.24CC..EExtended strand (participates in β ladder)trans-141.6137.4172.300000111.8L292 L302 Y327 L356A285-L292 HydrophobicContact CB-CD1 3.91Å; A285-L302 HydrophobicContact CB-CD1 4.12Å; A285-L302 HydrophobicContact CB-CD2 4.07Å; A285-Y327 PolarHBondContact N-O 3.42Å; A285-Y327 PolarHBondContact O-N 2.6Å; A285-Y327 VanDerWaalsContact O-O 3.11Å; A285-L356 CarbonylContact C-O 3.47Å; A285-L356 VanDerWaalsContact CA-O 3.23Å; A285-L356 WeakPolarHBondContact CA-O 3.44Å
286V93.9Very high90.7Very high0 Ų049.4 Ų49.40%023%0.233CC..EExtended strand (participates in β ladder)trans-139.2138.3176.9580000110F284 L320 F324 T325 V326 F342 Y355 L356F284-V286 HydrophobicContact CE1-CB 4.09Å; F284-V286 HydrophobicContact CE1-CG1 3.52Å; F284-V286 HydrophobicContact CZ-CB 3.73Å; F284-V286 HydrophobicContact CZ-CG1 3.57Å; V286-L320 HydrophobicContact CG2-CD1 3.59Å; V286-F324 HydrophobicContact CG2-CD1 4.1Å; V286-T325 WeakPolarHBondContact CA-O 3.27Å; V286-V326 HydrophobicContact CB-CG2 4.21Å; V286-V326 HydrophobicContact CG2-CG2 3.71Å; V286-F342 HydrophobicContact CG1-CE1 4.23Å; V286-F342 HydrophobicContact CG1-CZ 4.03Å; V286-Y355 CarbonylContact O-C 3.57Å; V286-Y355 VanDerWaalsContact O-CA 3.27Å; V286-Y355 WeakPolarHBondContact O-CA 3.48Å; V286-L356 HydrophobicContact CG1-CB 3.84Å; V286-L356 HydrophobicContact CG1-CD2 4.02Å; V286-L356 HydrophobicContact CG1-CG 4.31Å; V286-L356 PolarHBondContact N-O 2.85Å; V286-L356 PolarHBondContact O-N 2.8Å
287G94.2Very high90.7Very high0 Ų048.5 Ų48.50%023%0.233CC..EExtended strand (participates in β ladder)trans175.4-178.3-178.200000113.4R289 F324 T325 D354G287-R289 PolarHBondContact O-N 2.78Å; G287-F324 VanDerWaalsContact C-CD1 3.43Å; G287-F324 CarbonylContact O-C 3.22Å; G287-F324 VanDerWaalsContact O-CA 3.23Å; G287-F324 WeakPolarHBondContact O-CA 3.45Å; G287-T325 PolarHBondContact N-O 2.87Å; G287-T325 VanDerWaalsContact N-O 3.14Å; G287-T325 PolarHBondContact O-N 2.95Å; G287-D354 CarbonylContact C-O 3.58Å; G287-D354 WeakPolarHBondContact CA-O 3.15Å
288Q93.4Very high90.6Very high35 Ų3543.9 Ų43.916%0.16421%0.214CC..EExtended strand (participates in β ladder)trans-60.9130.4174.5-62.7-175.226.300110R290 S291 L292 N323 F324 G351 I353 D354Q288-R290 PolarHBondContact O-N 3.19Å; Q288-R290 VanDerWaalsContact O-N 3.1Å; Q288-S291 PolarHBondContact O-N 3.43Å; Q288-S291 VanDerWaalsContact O-N 3.11Å; Q288-L292 VanDerWaalsContact O-CB 3.29Å; Q288-L292 WeakPolarHBondContact O-CB 3.45Å; Q288-L292 PolarHBondContact O-N 3.4Å; Q288-N323 WeakPolarHBondContact CA-O 3.36Å; Q288-F324 HydrophobicContact CG-CE2 4.2Å; Q288-F324 HydrophobicContact CG-CZ 4.14Å; Q288-G351 PolarHBondContact NE2-O 2.68Å; Q288-I353 PolarHBondContact NE2-O 3.36Å; Q288-D354 PolarHBondContact N-O 2.75Å
289R90.2Very high90.4Very high162 Ų16242 Ų4261%0.61121%0.207SC*.Hα-helixtrans-52.1-41-173.1-172.5173.4-176.5139-1.9113.4G287 V293 N323G287-R289 PolarHBondContact O-N 2.78Å; R289-V293 WeakPolarHBondContact O-CB 3.49Å; R289-V293 WeakPolarHBondContact O-CG2 3.5Å; R289-V293 PolarHBondContact O-N 3.49Å; R289-N323 PolarHBondContact N-O 2.91Å
290R89Confident90Very high223 Ų22344.6 Ų44.684%0.84223%0.225SC*.Hα-helixtrans-67.5-38.7-177.1-67.6-177.2179.8175.7-0.2113.3Q288Q288-R290 PolarHBondContact O-N 3.19Å; Q288-R290 VanDerWaalsContact O-N 3.1Å
291S90.7Very high89.7Confident29 Ų2944.1 Ų44.120%0.20322%0.223CC..Hα-helixtrans-82.3-44.7-179.7-52.90000110.1Q288 V293 K294 V295 D354Q288-S291 PolarHBondContact O-N 3.43Å; Q288-S291 VanDerWaalsContact O-N 3.11Å; S291-V293 VanDerWaalsContact C-N 3.33Å; S291-V293 PolarHBondContact O-N 3.04Å; S291-K294 WeakPolarHBondContact O-CB 3.32Å; S291-K294 PolarHBondContact O-N 3.27Å; S291-V295 WeakPolarHBondContact O-CG2 3.49Å; S291-V295 PolarHBondContact O-N 2.77Å; S291-V295 VanDerWaalsContact O-N 3.11Å; S291-D354 WeakPolarHBondContact CB-OD1 3.47Å; S291-D354 VanDerWaalsContact CB-OD2 3.3Å; S291-D354 WeakPolarHBondContact CB-OD2 3.29Å; S291-D354 PolarHBondContact OG-OD1 2.98Å; S291-D354 PolarHBondContact OG-OD2 2.88Å
292L90.6Very high89.3Confident0 Ų043.3 Ų43.30%022%0.218CC..Hα-helixtrans-62.6-36.7-176-169.363.7000112.9A285 Q288 K294 V295 V296 T325 Y327A285-L292 HydrophobicContact CB-CD1 3.91Å; Q288-L292 VanDerWaalsContact O-CB 3.29Å; Q288-L292 WeakPolarHBondContact O-CB 3.45Å; Q288-L292 PolarHBondContact O-N 3.4Å; L292-K294 VanDerWaalsContact C-N 3.26Å; L292-K294 PolarHBondContact O-N 3.26Å; L292-V295 PolarHBondContact O-N 3.28Å; L292-V296 HydrophobicContact CG-CG2 4.33Å; L292-V296 WeakPolarHBondContact O-CB 3.38Å; L292-V296 WeakPolarHBondContact O-CG2 3.48Å; L292-V296 PolarHBondContact O-N 3.37Å; L292-T325 WeakPolarHBondContact CD2-O 3.32Å; L292-Y327 HydrophobicContact CD2-CD2 3.59Å; L292-Y327 HydrophobicContact CD2-CE2 3.74Å; L292-Y327 HydrophobicContact CG-CD2 3.98Å; L292-Y327 HydrophobicContact CG-CE2 3.97Å
293V89Confident88.4Confident75 Ų7546.9 Ų46.946%0.45524%0.239SC..Hα-helixtrans-60.4-36.8175.4168.40000111.9R289 S291 A297R289-V293 WeakPolarHBondContact O-CB 3.49Å; R289-V293 WeakPolarHBondContact O-CG2 3.5Å; R289-V293 PolarHBondContact O-N 3.49Å; S291-V293 VanDerWaalsContact C-N 3.33Å; S291-V293 PolarHBondContact O-N 3.04Å; V293-A297 PolarHBondContact O-N 3.12Å; V293-A297 VanDerWaalsContact O-N 3.13Å
294K89.3Confident87Confident116 Ų11648.7 Ų48.750%0.50425%0.25SC..Hα-helixtrans-71.3-44.4176.5-62.5175.8-176.4167.10111.2S291 L292 V296 A297 D298S291-K294 WeakPolarHBondContact O-CB 3.32Å; S291-K294 PolarHBondContact O-N 3.27Å; L292-K294 VanDerWaalsContact C-N 3.26Å; L292-K294 PolarHBondContact O-N 3.26Å; K294-V296 VanDerWaalsContact C-N 3.27Å; K294-V296 PolarHBondContact O-N 2.81Å; K294-A297 CarbonylContact O-C 3.45Å; K294-A297 WeakPolarHBondContact O-CA 3.04Å; K294-A297 WeakPolarHBondContact O-CB 3.09Å; K294-A297 PolarHBondContact O-N 3.31Å; K294-D298 WeakPolarHBondContact O-CB 3.4Å; K294-D298 PolarHBondContact O-N 3.44Å
295V89.1Confident85.2Confident18 Ų1851 Ų5111%0.10927%0.265CS..Hα-helixtrans-59.1-41.6177177.70000110.9S291 L292 A297 D298 S299 L302 Y355S291-V295 WeakPolarHBondContact O-CG2 3.49Å; S291-V295 PolarHBondContact O-N 2.77Å; S291-V295 VanDerWaalsContact O-N 3.11Å; L292-V295 PolarHBondContact O-N 3.28Å; V295-A297 VanDerWaalsContact C-N 3.3Å; V295-A297 PolarHBondContact O-N 2.9Å; V295-D298 PolarHBondContact O-N 2.64Å; V295-S299 VanDerWaalsContact O-CB 3.32Å; V295-S299 WeakPolarHBondContact O-CB 3.41Å; V295-S299 PolarHBondContact O-N 2.88Å; V295-S299 PolarHBondContact O-OG 2.79Å; V295-L302 HydrophobicContact CG1-CD1 4.06Å; V295-Y355 HydrophobicContact CG1-CD2 4.36Å; V295-Y355 HydrophobicContact CG1-CE2 3.97Å; V295-Y355 HydrophobicContact CG2-CD1 3.9Å; V295-Y355 HydrophobicContact CG2-CD2 4.34Å; V295-Y355 HydrophobicContact CG2-CE1 3.53Å; V295-Y355 HydrophobicContact CG2-CE2 4Å; V295-Y355 HydrophobicContact CG2-CG 4.29Å
296V88.5Confident83.4Confident13 Ų1356.1 Ų56.18%0.07930%0.301CS..Hα-helixtrans-65.8-32.8176.3170.30000111.7L292 K294 L302 V303 P305 Y327L292-V296 HydrophobicContact CG-CG2 4.33Å; L292-V296 WeakPolarHBondContact O-CB 3.38Å; L292-V296 WeakPolarHBondContact O-CG2 3.48Å; L292-V296 PolarHBondContact O-N 3.37Å; K294-V296 VanDerWaalsContact C-N 3.27Å; K294-V296 PolarHBondContact O-N 2.81Å; V296-L302 HydrophobicContact CB-CB 4.27Å; V296-L302 HydrophobicContact CG1-CB 4.22Å; V296-L302 HydrophobicContact CG2-CB 4.17Å; V296-L302 HydrophobicContact CG2-CD1 4.01Å; V296-V303 WeakPolarHBondContact O-CA 3.27Å; V296-V303 WeakPolarHBondContact O-CG2 3.46Å; V296-V303 PolarHBondContact O-N 3.46Å; V296-P305 HydrophobicContact CG1-CG 4.37Å; V296-Y327 HydrophobicContact CG2-CD2 3.89Å; V296-Y327 HydrophobicContact CG2-CE2 3.85Å; V296-Y327 HydrophobicContact CG2-CG 4.26Å
297A86.5Confident81.8Confident69 Ų6959.4 Ų59.457%0.5732%0.317SS*.Hα-helixtrans-77.4-26175.100000113.2V293 K294 V295 V303V293-A297 PolarHBondContact O-N 3.12Å; V293-A297 VanDerWaalsContact O-N 3.13Å; K294-A297 CarbonylContact O-C 3.45Å; K294-A297 WeakPolarHBondContact O-CA 3.04Å; K294-A297 WeakPolarHBondContact O-CB 3.09Å; K294-A297 PolarHBondContact O-N 3.31Å; V295-A297 VanDerWaalsContact C-N 3.3Å; V295-A297 PolarHBondContact O-N 2.9Å; A297-V303 VanDerWaalsContact C-CG2 3.4Å; A297-V303 WeakPolarHBondContact O-CG2 3.35Å
298D85.6Confident80.5Confident88 Ų8859.9 Ų59.947%0.47132%0.319SS..Hα-helixtrans-91.6-25.5-177.3-79.4-37.5000114K294 V295 K366K294-D298 WeakPolarHBondContact O-CB 3.4Å; K294-D298 PolarHBondContact O-N 3.44Å; V295-D298 PolarHBondContact O-N 2.64Å; D298-K366 WeakPolarHBondContact O-CE 3.08Å; D298-K366 IonicContact OD1-NZ 3.49Å; D298-K366 PolarHBondContact OD1-NZ 2.83Å
299S84.3Confident79.3Confident20 Ų2058.4 Ų58.414%0.1431%0.313CS..  trans-100.2115.2-172.4-42.70000110.4V295 D301 L302 V303V295-S299 VanDerWaalsContact O-CB 3.32Å; V295-S299 WeakPolarHBondContact O-CB 3.41Å; V295-S299 PolarHBondContact O-N 2.88Å; V295-S299 PolarHBondContact O-OG 2.79Å; S299-D301 WeakPolarHBondContact CB-OD1 3.43Å; S299-D301 PolarHBondContact O-N 3.11Å; S299-D301 VanDerWaalsContact O-N 3.11Å; S299-L302 CarbonylContact O-C 3.57Å; S299-L302 PolarHBondContact O-N 2.81Å; S299-V303 VanDerWaalsContact O-CG2 3.23Å; S299-V303 WeakPolarHBondContact O-CG2 3.49Å; S299-V303 PolarHBondContact O-N 3.38Å
300S82.4Confident77.9Confident55 Ų5555.1 Ų55.139%0.38531%0.314SS..Hα-helixtrans-57.6-30.6-173.555.80000114V304S300-V304 VanDerWaalsContact O-CG2 3.28Å; S300-V304 WeakPolarHBondContact O-CG2 3.21Å
301D85.1Confident76.4Confident5 Ų548.8 Ų48.83%0.02729%0.294CS..Hα-helixtrans-68.7-34175.253.8-14.4000113.3S299 Y308 H357 S359 Q361S299-D301 WeakPolarHBondContact CB-OD1 3.43Å; S299-D301 PolarHBondContact O-N 3.11Å; S299-D301 VanDerWaalsContact O-N 3.11Å; D301-Y308 WeakPolarHBondContact O-CD2 3.41Å; D301-H357 IonicContact OD1-CE1 3.47Å; D301-H357 IonicContact OD2-CE1 3.6Å; D301-H357 PolarHBondContact OD2-CE1 3.07Å; D301-H357 IonicContact OD2-NE2 3.74Å; D301-H357 PolarHBondContact OD2-NE2 2.85Å; D301-S359 WeakPolarHBondContact OD2-CB 3.42Å; D301-S359 PolarHBondContact OD2-OG 2.93Å; D301-Q361 HydrophobicContact CB-CB 4.08Å
302L82.3Confident75.3Confident2 Ų255 Ų551%0.0132%0.317CS..Hα-helixtrans-89.3-29.6176.6-61.9176.3000113.1V283 A285 V295 V296 S299 V304 P305V283-L302 HydrophobicContact CG1-CD2 3.63Å; A285-L302 HydrophobicContact CB-CD1 4.12Å; A285-L302 HydrophobicContact CB-CD2 4.07Å; V295-L302 HydrophobicContact CG1-CD1 4.06Å; V296-L302 HydrophobicContact CB-CB 4.27Å; V296-L302 HydrophobicContact CG1-CB 4.22Å; V296-L302 HydrophobicContact CG2-CB 4.17Å; V296-L302 HydrophobicContact CG2-CD1 4.01Å; S299-L302 CarbonylContact O-C 3.57Å; S299-L302 PolarHBondContact O-N 2.81Å; L302-V304 PolarHBondContact O-N 3.17Å; L302-P305 WeakPolarHBondContact O-CD 3.47Å; L302-P305 VanDerWaalsContact O-CG 3.23Å; L302-P305 WeakPolarHBondContact O-CG 3.47Å
303V72.9Confident74.1Confident74 Ų7457.5 Ų57.545%0.44833%0.329SS..Hα-helixtrans-65.5-13.6177.9173.50000112.6V296 A297 S299 P305V296-V303 WeakPolarHBondContact O-CA 3.27Å; V296-V303 WeakPolarHBondContact O-CG2 3.46Å; V296-V303 PolarHBondContact O-N 3.46Å; A297-V303 VanDerWaalsContact C-CG2 3.4Å; A297-V303 WeakPolarHBondContact O-CG2 3.35Å; S299-V303 VanDerWaalsContact O-CG2 3.23Å; S299-V303 WeakPolarHBondContact O-CG2 3.49Å; S299-V303 PolarHBondContact O-N 3.38Å; V303-P305 WeakPolarHBondContact O-CD 3.31Å
304V64.2Low73.1Confident38 Ų3856.8 Ų56.823%0.2333%0.327CS..  trans-93.953.3164.1-147.50000111.8S300 L302 S306 M307 Y308S300-V304 VanDerWaalsContact O-CG2 3.28Å; S300-V304 WeakPolarHBondContact O-CG2 3.21Å; L302-V304 PolarHBondContact O-N 3.17Å; V304-S306 PolarHBondContact O-N 3.09Å; V304-M307 HydrophobicContact CB-CB 4.34Å; V304-M307 HydrophobicContact CG1-CB 3.47Å; V304-M307 VanDerWaalsContact CG1-CB 3.47Å; V304-M307 HydrophobicContact CG1-CG 3.51Å; V304-M307 HydrophobicContact CG1-SD 3.83Å; V304-M307 PolarHBondContact O-N 3.23Å; V304-Y308 HydrophobicContact CB-CD2 4.29Å; V304-Y308 PolarHBondContact O-N 2.86Å
305P54.7Low72.7Confident50 Ų5051.4 Ų51.433%0.32530%0.304SS..THydrogen-bonded Turntrans-56.9-21.9171.3-15.627.1000112.2V296 L302 V303 M307 C309 S310V296-P305 HydrophobicContact CG1-CG 4.37Å; L302-P305 WeakPolarHBondContact O-CD 3.47Å; L302-P305 VanDerWaalsContact O-CG 3.23Å; L302-P305 WeakPolarHBondContact O-CG 3.47Å; V303-P305 WeakPolarHBondContact O-CD 3.31Å; P305-M307 VanDerWaalsContact C-N 3.27Å; P305-M307 PolarHBondContact O-N 3.1Å; P305-C309 WeakPolarHBondContact CA-O 3.17Å; P305-C309 WeakPolarHBondContact CB-O 3.49Å; P305-C309 CarbonylContact O-C 3.59Å; P305-C309 VanDerWaalsContact O-C 3.22Å; P305-C309 VanDerWaalsContact O-O 3.11Å; P305-S310 WeakPolarHBondContact O-CA 3.32Å; P305-S310 PolarHBondContact O-N 3.29Å
306S55.5Low72.3Confident107 Ų10756.5 Ų56.575%0.74833%0.327SS*.THydrogen-bonded Turntrans-68.8-21.3174.554.90000113.7V304V304-S306 PolarHBondContact O-N 3.09Å
307M61Low72.1Confident69 Ų6964.8 Ų64.834%0.3436%0.361SS..THydrogen-bonded Turntrans-119.1-34.7-178-61.2-175.8127.900114.4V304 P305 V437V304-M307 HydrophobicContact CB-CB 4.34Å; V304-M307 HydrophobicContact CG1-CB 3.47Å; V304-M307 VanDerWaalsContact CG1-CB 3.47Å; V304-M307 HydrophobicContact CG1-CG 3.51Å; V304-M307 HydrophobicContact CG1-SD 3.83Å; V304-M307 PolarHBondContact O-N 3.23Å; P305-M307 VanDerWaalsContact C-N 3.27Å; P305-M307 PolarHBondContact O-N 3.1Å; M307-V437 HydrophobicContact CB-CG2 3.74Å; M307-V437 HydrophobicContact CG-CG2 4.3Å; M307-V437 HydrophobicContact SD-CG2 3.62Å
308Y65.7Low72.1Confident10 Ų1063.2 Ų63.24%0.03934%0.344CS..SBendtrans-103.3-67.7177.4-63.3-61.8000112.1D301 V304 S310 E329 N433 R434 V437D301-Y308 WeakPolarHBondContact O-CD2 3.41Å; V304-Y308 HydrophobicContact CB-CD2 4.29Å; V304-Y308 PolarHBondContact O-N 2.86Å; Y308-S310 PolarHBondContact O-N 3.41Å; Y308-E329 VanDerWaalsContact O-CA 3.27Å; Y308-E329 WeakPolarHBondContact O-CA 3.44Å; Y308-E329 WeakPolarHBondContact O-CB 3.44Å; Y308-E329 WeakPolarHBondContact O-CG 3.46Å; Y308-N433 HydrophobicContact CD1-CB 4.11Å; Y308-N433 HydrophobicContact CE1-CB 4.18Å; Y308-R434 HydrophobicContact CE1-CG 3.96Å; Y308-V437 HydrophobicContact CD2-CG2 4.5Å; Y308-V437 HydrophobicContact CE1-CG2 4.05Å; Y308-V437 HydrophobicContact CE2-CB 4.37Å; Y308-V437 HydrophobicContact CE2-CG1 4.23Å; Y308-V437 HydrophobicContact CE2-CG2 3.73Å; Y308-V437 VanDerWaalsContact CZ-CG2 3.48Å; Y308-V437 VanDerWaalsContact OH-CB 3.29Å; Y308-V437 WeakPolarHBondContact OH-CB 3.38Å; Y308-V437 WeakPolarHBondContact OH-CG1 3.29Å; Y308-V437 WeakPolarHBondContact OH-CG2 3.13Å
309C68.6Low72.2Confident4 Ų461.8 Ų61.83%0.02735%0.35CS..  trans-97.779.3-172.3-65.30000112.7P305P305-C309 WeakPolarHBondContact CA-O 3.17Å; P305-C309 WeakPolarHBondContact CB-O 3.49Å; P305-C309 CarbonylContact O-C 3.59Å; P305-C309 VanDerWaalsContact O-C 3.22Å; P305-C309 VanDerWaalsContact O-O 3.11Å
310S61.1Low72.5Confident93 Ų9361.1 Ų61.165%0.6534%0.344SS*.  trans-79.4-20.1178.759.50000114.1P305 Y308P305-S310 WeakPolarHBondContact O-CA 3.32Å; P305-S310 PolarHBondContact O-N 3.29Å; Y308-S310 PolarHBondContact O-N 3.41Å
311E58.4Low72.9Confident89 Ų8961.2 Ų61.242%0.41634%0.343SS..EExtended strand (participates in β ladder)trans-104.5103.5-168.2-153.8-178.5175.900112.7K313E311-K313 HydrophobicContact CG-CG 3.92Å; E311-K313 PolarHBondContact O-N 2.85Å; E311-K313 VanDerWaalsContact O-N 3.16Å; E311-K313 WeakPolarHBondContact OE1-CE 2.85Å; E311-K313 WeakPolarHBondContact OE2-CE 3.25Å; E311-K313 IonicContact OE2-NZ 3.93Å
312K65.9Low73Confident159 Ų15965.3 Ų65.369%0.69137%0.373SS*.EExtended strand (participates in β ladder)trans-77.990.2163.6-69.7179.2-177.8172.10108.7Y327K312-Y327 HydrophobicContact CG-CE1 4.13Å
313K65.6Low73.4Confident54 Ų5468.9 Ų68.924%0.23539%0.392CS..EExtended strand (participates in β ladder)trans-75.2135.9171.1-68.2-169176.3-168.60109.7E311 A315 G331E311-K313 HydrophobicContact CG-CG 3.92Å; E311-K313 PolarHBondContact O-N 2.85Å; E311-K313 VanDerWaalsContact O-N 3.16Å; E311-K313 WeakPolarHBondContact OE1-CE 2.85Å; E311-K313 WeakPolarHBondContact OE2-CE 3.25Å; E311-K313 IonicContact OE2-NZ 3.93Å; K313-A315 PolarHBondContact O-N 2.64Å; K313-A315 VanDerWaalsContact O-N 3.16Å; K313-G331 PolarHBondContact NZ-O 3.07Å
314S68.8Low74.3Confident59 Ų5965.9 Ų65.941%0.41337%0.373SS..  trans-61.1120167.9-176.80000108.4E316 K317S314-E316 PolarHBondContact O-N 3.11Å; S314-E316 VanDerWaalsContact O-N 3.14Å; S314-K317 PolarHBondContact O-N 3.16Å; S314-K317 VanDerWaalsContact O-N 3.1Å
315A79.8Confident75.6Confident4 Ų464.9 Ų64.93%0.03337%0.367CS..G310 helixtrans-58.5-26.3-178.300000111.9K313 K317 L318 L320 F324 V326K313-A315 PolarHBondContact O-N 2.64Å; K313-A315 VanDerWaalsContact O-N 3.16Å; A315-K317 VanDerWaalsContact C-N 3.26Å; A315-K317 PolarHBondContact O-N 3.4Å; A315-L318 PolarHBondContact O-N 3.37Å; A315-L320 HydrophobicContact CB-CB 3.94Å; A315-L320 HydrophobicContact CB-CD1 4.4Å; A315-L320 WeakPolarHBondContact O-CB 3.44Å; A315-L320 PolarHBondContact O-N 3.16Å; A315-L320 VanDerWaalsContact O-N 3.16Å; A315-F324 HydrophobicContact CB-CB 4.04Å; A315-F324 WeakPolarHBondContact CB-O 3.39Å; A315-V326 HydrophobicContact CB-CG2 4.13Å
316E81.4Confident77.4Confident125 Ų12562.5 Ų62.558%0.58435%0.351SS*.G310 helixtrans-60.3-33.4177.8-62.6175.8173.300112.6S314 L318 G319S314-E316 PolarHBondContact O-N 3.11Å; S314-E316 VanDerWaalsContact O-N 3.14Å; E316-L318 PolarHBondContact O-N 2.99Å; E316-G319 PolarHBondContact O-N 3.08Å
317K83.8Confident79Confident186 Ų18658.4 Ų58.481%0.80932%0.32SS*.G310 helixtrans-64.5-22.3176.5-66.7-173.4178.8-176.70112.8S314 A315S314-K317 PolarHBondContact O-N 3.16Å; S314-K317 VanDerWaalsContact O-N 3.1Å; A315-K317 VanDerWaalsContact C-N 3.26Å; A315-K317 PolarHBondContact O-N 3.4Å
318L86.6Confident80.4Confident37 Ų3755.1 Ų55.119%0.19430%0.304CS..G310 helixtrans-100.310178.9-62.9167.5000112A315 E316 L320 V326 A334 V338 T343A315-L318 PolarHBondContact O-N 3.37Å; E316-L318 PolarHBondContact O-N 2.99Å; L318-L320 VanDerWaalsContact C-N 3.29Å; L318-L320 PolarHBondContact O-N 2.65Å; L318-V326 HydrophobicContact CD1-CG1 4.42Å; L318-V326 HydrophobicContact CD1-CG2 4.09Å; L318-A334 HydrophobicContact CD1-CB 4.18Å; L318-V338 HydrophobicContact CB-CB 4.43Å; L318-V338 HydrophobicContact CB-CG1 3.9Å; L318-V338 HydrophobicContact CD1-CB 4.37Å; L318-V338 HydrophobicContact CD1-CG2 4.24Å; L318-T343 WeakPolarHBondContact O-CG2 3.39Å
319G87.9Confident81.4Confident58 Ų5854.8 Ų54.860%0.59830%0.302SS*.THydrogen-bonded Turntrans73.218.3-178.800000114.2E316E316-G319 PolarHBondContact O-N 3.08Å
320L90.7Very high82.3Confident6 Ų655 Ų553%0.03130%0.303CS..  trans-90.9152.1175.5-68.1171.3000111.3V286 A315 L318 F324 V326 V338 F342 T343 V346V286-L320 HydrophobicContact CG2-CD1 3.59Å; A315-L320 HydrophobicContact CB-CB 3.94Å; A315-L320 HydrophobicContact CB-CD1 4.4Å; A315-L320 WeakPolarHBondContact O-CB 3.44Å; A315-L320 PolarHBondContact O-N 3.16Å; A315-L320 VanDerWaalsContact O-N 3.16Å; L318-L320 VanDerWaalsContact C-N 3.29Å; L318-L320 PolarHBondContact O-N 2.65Å; L320-F324 HydrophobicContact CB-CB 4.23Å; L320-V326 HydrophobicContact CD1-CG2 4.17Å; L320-V338 HydrophobicContact CD1-CG1 3.78Å; L320-V338 HydrophobicContact CD1-CG2 4.41Å; L320-V338 HydrophobicContact CD2-CG1 4.23Å; L320-V338 HydrophobicContact CG-CG1 3.92Å; L320-F342 HydrophobicContact CD1-CE1 4.48Å; L320-F342 HydrophobicContact CD2-CD1 4.04Å; L320-F342 HydrophobicContact CD2-CE1 3.84Å; L320-T343 HydrophobicContact CD2-CG2 3.98Å; L320-T343 HydrophobicContact CG-CG2 4.38Å; L320-V346 HydrophobicContact CD2-CB 4.41Å; L320-V346 HydrophobicContact CD2-CG1 4.4Å; L320-V346 HydrophobicContact CD2-CG2 4.12Å
321P90.8Very high83.6Confident56 Ų5651.7 Ų51.736%0.36428%0.284SS..  trans-66.5156177.6-14.228.1000112.2N323 F324 V346P321-N323 WeakPolarHBondContact CB-OD1 3.46Å; P321-N323 PolarHBondContact O-N 3.48Å; P321-N323 VanDerWaalsContact O-N 3.08Å; P321-F324 HydrophobicContact CG-CD2 4.42Å; P321-F324 WeakPolarHBondContact O-CB 3.43Å; P321-F324 PolarHBondContact O-N 3.46Å; P321-V346 HydrophobicContact CG-CG1 3.91Å
322S88.7Confident85.1Confident92 Ų9250.4 Ų50.464%0.64328%0.278SS*.THydrogen-bonded Turntrans-64-16.7-173.159.90000115.3F324S322-F324 PolarHBondContact O-N 2.9Å
323N90.3Very high86.4Confident77 Ų7742.8 Ų42.841%0.41225%0.245SC..THydrogen-bonded Turntrans-77.9-6.3173.367.3-40.2000113.3Q288 R289 P321Q288-N323 WeakPolarHBondContact CA-O 3.36Å; R289-N323 PolarHBondContact N-O 2.91Å; P321-N323 WeakPolarHBondContact CB-OD1 3.46Å; P321-N323 PolarHBondContact O-N 3.48Å; P321-N323 VanDerWaalsContact O-N 3.08Å
324F92.1Very high87.6Confident11 Ų1140.2 Ų40.25%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-90.7154.6174.8-80.4-108.9000112.1V286 G287 Q288 A315 L320 P321 S322 V346 I353V286-F324 HydrophobicContact CG2-CD1 4.1Å; G287-F324 VanDerWaalsContact C-CD1 3.43Å; G287-F324 CarbonylContact O-C 3.22Å; G287-F324 VanDerWaalsContact O-CA 3.23Å; G287-F324 WeakPolarHBondContact O-CA 3.45Å; Q288-F324 HydrophobicContact CG-CE2 4.2Å; Q288-F324 HydrophobicContact CG-CZ 4.14Å; A315-F324 HydrophobicContact CB-CB 4.04Å; A315-F324 WeakPolarHBondContact CB-O 3.39Å; L320-F324 HydrophobicContact CB-CB 4.23Å; P321-F324 HydrophobicContact CG-CD2 4.42Å; P321-F324 WeakPolarHBondContact O-CB 3.43Å; P321-F324 PolarHBondContact O-N 3.46Å; S322-F324 PolarHBondContact O-N 2.9Å; F324-V346 HydrophobicContact CD2-CG1 4.39Å; F324-V346 HydrophobicContact CE1-CG1 4.43Å; F324-V346 HydrophobicContact CE1-CG2 4.43Å; F324-V346 HydrophobicContact CE2-CG1 3.71Å; F324-V346 HydrophobicContact CZ-CG1 3.74Å; F324-V346 HydrophobicContact CZ-CG2 4.32Å; F324-I353 HydrophobicContact CE1-CG2 4.47Å
325T91.1Very high88.6Confident17 Ų1740.4 Ų40.410%0.10424%0.239CC..EExtended strand (participates in β ladder)trans-137145.9172.9-60.40000108.3V286 G287 L292 Y327V286-T325 WeakPolarHBondContact CA-O 3.27Å; G287-T325 PolarHBondContact N-O 2.87Å; G287-T325 VanDerWaalsContact N-O 3.14Å; G287-T325 PolarHBondContact O-N 2.95Å; L292-T325 WeakPolarHBondContact CD2-O 3.32Å; T325-Y327 HydrophobicContact CG2-CD2 4.26Å; T325-Y327 HydrophobicContact CG2-CE2 3.68Å
326V91.3Very high89.2Confident0 Ų043 Ų430%025%0.252CS..EExtended strand (participates in β ladder)trans-121127-178.2-176.10000108.8F284 V286 A315 L318 L320 A334F284-V326 HydrophobicContact CD2-CG1 4.37Å; F284-V326 HydrophobicContact CE2-CG1 3.53Å; F284-V326 HydrophobicContact CZ-CG1 4.22Å; V286-V326 HydrophobicContact CB-CG2 4.21Å; V286-V326 HydrophobicContact CG2-CG2 3.71Å; A315-V326 HydrophobicContact CB-CG2 4.13Å; L318-V326 HydrophobicContact CD1-CG1 4.42Å; L318-V326 HydrophobicContact CD1-CG2 4.09Å; L320-V326 HydrophobicContact CD1-CG2 4.17Å; V326-A334 HydrophobicContact CG1-CB 4.24Å
327Y90.2Very high89.8Confident21 Ų2137.2 Ų37.28%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-111.7122.9168.2-68-89.9000107.3F284 A285 L292 V296 K312 T325F284-Y327 WeakPolarHBondContact CA-O 3.4Å; A285-Y327 PolarHBondContact N-O 3.42Å; A285-Y327 PolarHBondContact O-N 2.6Å; A285-Y327 VanDerWaalsContact O-O 3.11Å; L292-Y327 HydrophobicContact CD2-CD2 3.59Å; L292-Y327 HydrophobicContact CD2-CE2 3.74Å; L292-Y327 HydrophobicContact CG-CD2 3.98Å; L292-Y327 HydrophobicContact CG-CE2 3.97Å; V296-Y327 HydrophobicContact CG2-CD2 3.89Å; V296-Y327 HydrophobicContact CG2-CE2 3.85Å; V296-Y327 HydrophobicContact CG2-CG 4.26Å; K312-Y327 HydrophobicContact CG-CE1 4.13Å; T325-Y327 HydrophobicContact CG2-CD2 4.26Å; T325-Y327 HydrophobicContact CG2-CE2 3.68Å
328S89.3Confident90.2Very high0 Ų028.9 Ų28.90%019%0.19CC..EExtended strand (participates in β ladder)trans-142.3136178.7-161.90000109.6L330S328-L330 VanDerWaalsContact C-N 3.3Å; S328-L330 PolarHBondContact OG-O 3.24Å
329E87.4Confident90.5Very high2 Ų227.7 Ų27.71%0.00918%0.184CC..SBendtrans-66.1-37.7169.4-179.6-178.6-174.500111.4V283 Y308 A430 N433 R434V283-E329 PolarHBondContact N-OE2 3.47Å; V283-E329 PolarHBondContact O-N 2.92Å; Y308-E329 VanDerWaalsContact O-CA 3.27Å; Y308-E329 WeakPolarHBondContact O-CA 3.44Å; Y308-E329 WeakPolarHBondContact O-CB 3.44Å; Y308-E329 WeakPolarHBondContact O-CG 3.46Å; E329-A430 WeakPolarHBondContact OE1-CA 3.23Å; E329-N433 PolarHBondContact OE1-ND2 3.32Å; E329-R434 IonicContact OE1-CZ 3.17Å; E329-R434 IonicContact OE1-NH1 3.62Å; E329-R434 PolarHBondContact OE1-NH1 3.09Å; E329-R434 IonicContact OE1-NH2 2.83Å; E329-R434 IonicContact OE2-CZ 3.23Å; E329-R434 IonicContact OE2-NH1 3.67Å; E329-R434 PolarHBondContact OE2-NH1 3.23Å; E329-R434 VanDerWaalsContact OE2-NH1 3.16Å; E329-R434 IonicContact OE2-NH2 3.16Å; E329-R434 PolarHBondContact OE2-NH2 2.84Å
330L88.2Confident90.7Very high8 Ų830 Ų304%0.04219%0.188CC..SBendtrans-129.5138.4-173.1-62.6166.7000110.6S328 E332 V333 L422 A426 K429 A430S328-L330 VanDerWaalsContact C-N 3.3Å; S328-L330 PolarHBondContact OG-O 3.24Å; L330-E332 VanDerWaalsContact C-N 3.3Å; L330-E332 HydrophobicContact CB-CG 4.31Å; L330-E332 PolarHBondContact O-N 3.48Å; L330-V333 HydrophobicContact CB-CB 4.49Å; L330-V333 HydrophobicContact CB-CG2 3.79Å; L330-V333 HydrophobicContact CD1-CG2 4.17Å; L330-V333 PolarHBondContact O-N 3.13Å; L330-L422 HydrophobicContact CD1-CD1 3.92Å; L330-L422 HydrophobicContact CD1-CD2 3.79Å; L330-L422 HydrophobicContact CD1-CG 4.48Å; L330-A426 HydrophobicContact CD1-CB 3.89Å; L330-A426 HydrophobicContact CD2-CB 4.13Å; L330-K429 HydrophobicContact CD2-CB 4.47Å; L330-K429 HydrophobicContact CD2-CD 3.89Å; L330-K429 HydrophobicContact CD2-CG 4.43Å; L330-A430 HydrophobicContact CD1-CB 4.38Å
331G87.1Confident90.9Very high25 Ų2535.8 Ų35.826%0.25821%0.213SC..Hα-helixtrans-65.4-32.7-178.600000114.2K313 A335K313-G331 PolarHBondContact NZ-O 3.07Å; G331-A335 PolarHBondContact O-N 3.17Å
332E90.8Very high91Very high61 Ų6133.1 Ų33.129%0.28520%0.196SC..Hα-helixtrans-69.5-34.3179.962.7177.4-147.400113L330 A335 N336 F420 L422 S423 A426L330-E332 VanDerWaalsContact C-N 3.3Å; L330-E332 HydrophobicContact CB-CG 4.31Å; L330-E332 PolarHBondContact O-N 3.48Å; E332-A335 PolarHBondContact O-N 2.79Å; E332-N336 PolarHBondContact O-N 3.49Å; E332-F420 HydrophobicContact CB-CZ 4.48Å; E332-F420 HydrophobicContact CG-CZ 4.16Å; E332-L422 HydrophobicContact CG-CD2 4.39Å; E332-L422 VanDerWaalsContact OE1-CA 3.24Å; E332-L422 WeakPolarHBondContact OE1-CA 3.27Å; E332-L422 WeakPolarHBondContact OE1-CB 3.39Å; E332-L422 WeakPolarHBondContact OE1-CD2 3.37Å; E332-S423 PolarHBondContact OE1-N 2.91Å; E332-S423 VanDerWaalsContact OE2-CB 3.32Å; E332-S423 WeakPolarHBondContact OE2-CB 3.13Å; E332-S423 PolarHBondContact OE2-OG 3.34Å; E332-A426 VanDerWaalsContact CD-CB 3.43Å; E332-A426 HydrophobicContact CG-CB 4.3Å; E332-A426 WeakPolarHBondContact OE1-CB 3.49Å
333V92.3Very high91.3Very high0 Ų030.3 Ų30.30%018%0.175CC..Hα-helixtrans-62-48.8177.9176.70000109.8Y282 F284 L330 A335 N336 I337 F420 L422Y282-V333 HydrophobicContact CD1-CG2 4.4Å; Y282-V333 HydrophobicContact CD2-CB 4.36Å; Y282-V333 HydrophobicContact CD2-CG1 3.46Å; Y282-V333 VanDerWaalsContact CD2-CG1 3.46Å; Y282-V333 HydrophobicContact CD2-CG2 3.89Å; Y282-V333 HydrophobicContact CE2-CG1 3.72Å; Y282-V333 HydrophobicContact CG-CG1 4.21Å; Y282-V333 HydrophobicContact CG-CG2 3.76Å; F284-V333 HydrophobicContact CB-CG1 3.65Å; F284-V333 HydrophobicContact CD2-CG1 4.14Å; F284-V333 HydrophobicContact CG-CG1 3.95Å; L330-V333 HydrophobicContact CB-CB 4.49Å; L330-V333 HydrophobicContact CB-CG2 3.79Å; L330-V333 HydrophobicContact CD1-CG2 4.17Å; L330-V333 PolarHBondContact O-N 3.13Å; V333-A335 VanDerWaalsContact C-N 3.29Å; V333-A335 PolarHBondContact O-N 3.03Å; V333-N336 PolarHBondContact O-N 2.83Å; V333-N336 VanDerWaalsContact O-N 3.17Å; V333-I337 HydrophobicContact CG1-CG1 4.1Å; V333-I337 WeakPolarHBondContact O-CG1 3.45Å; V333-I337 PolarHBondContact O-N 3.05Å; V333-F420 HydrophobicContact CB-CE1 4.31Å; V333-F420 HydrophobicContact CG2-CE1 3.81Å; V333-L422 HydrophobicContact CG2-CD2 3.76Å
334A90.8Very high91.5Very high0 Ų029.4 Ų29.40%018%0.178CC..Hα-helixtrans-59.2-40.5179.900000112.3F284 L318 V326 V338F284-A334 HydrophobicContact CD2-CB 4.28Å; F284-A334 HydrophobicContact CE2-CB 3.8Å; L318-A334 HydrophobicContact CD1-CB 4.18Å; V326-A334 HydrophobicContact CG1-CB 4.24Å; A334-V338 VanDerWaalsContact O-CB 3.25Å; A334-V338 WeakPolarHBondContact O-CB 3.38Å; A334-V338 WeakPolarHBondContact O-CG2 3.16Å; A334-V338 PolarHBondContact O-N 3.48Å; A334-V338 VanDerWaalsContact O-N 3.13Å
335A90.2Very high91.6Very high63 Ų6329.5 Ų29.552%0.52118%0.181SC..Hα-helixtrans-72.1-29.8179.200000113.4G331 E332 V333G331-A335 PolarHBondContact O-N 3.17Å; E332-A335 PolarHBondContact O-N 2.79Å; V333-A335 VanDerWaalsContact C-N 3.29Å; V333-A335 PolarHBondContact O-N 3.03Å
336N92.4Very high91.7Very high59 Ų5928.9 Ų28.932%0.31618%0.177SC..Hα-helixtrans-80.8-43.6-179.6-166-75.1000112.8E332 V333 K416 F420E332-N336 PolarHBondContact O-N 3.49Å; V333-N336 PolarHBondContact O-N 2.83Å; V333-N336 VanDerWaalsContact O-N 3.17Å; N336-K416 PolarHBondContact O-NZ 2.96Å; N336-F420 HydrophobicContact CB-CD2 3.79Å; N336-F420 HydrophobicContact CB-CE2 3.55Å; N336-F420 HydrophobicContact CB-CG 4.39Å; N336-F420 HydrophobicContact CB-CZ 3.94Å; N336-F420 VanDerWaalsContact CG-CE2 3.45Å; N336-F420 VanDerWaalsContact ND2-CD2 3.26Å; N336-F420 WeakPolarHBondContact ND2-CD2 3.46Å; N336-F420 WeakPolarHBondContact ND2-CE2 3.17Å
337I93.6Very high91.8Very high2 Ų232.7 Ų32.71%0.0121%0.208CC..Hα-helixtrans-74.9-43.8-177.2-60.4-61.1000111F284 V333 D339 L356 I358 K416 A417F284-I337 HydrophobicContact CD1-CB 4.38Å; F284-I337 HydrophobicContact CD1-CG2 4.02Å; F284-I337 HydrophobicContact CE1-CB 4.05Å; F284-I337 HydrophobicContact CE1-CG2 3.56Å; F284-I337 HydrophobicContact CZ-CB 4.42Å; F284-I337 HydrophobicContact CZ-CG2 4.28Å; V333-I337 HydrophobicContact CG1-CG1 4.1Å; V333-I337 WeakPolarHBondContact O-CG1 3.45Å; V333-I337 PolarHBondContact O-N 3.05Å; I337-D339 VanDerWaalsContact C-N 3.27Å; I337-D339 PolarHBondContact O-N 2.81Å; I337-L356 HydrophobicContact CG2-CD2 3.82Å; I337-I358 HydrophobicContact CD1-CD1 3.99Å; I337-I358 HydrophobicContact CG1-CD1 4.14Å; I337-I358 HydrophobicContact CG2-CD1 3.81Å; I337-K416 HydrophobicContact CD1-CB 4.45Å; I337-A417 HydrophobicContact CD1-CB 4.41Å
338V93.1Very high92Very high11 Ų1138.7 Ų38.77%0.06724%0.235CC..SBendtrans-80.478.9176.5-173.20000109.3F284 L318 L320 A334 F342 T343F284-V338 HydrophobicContact CE2-CG2 4.39Å; F284-V338 HydrophobicContact CZ-CG2 3.65Å; L318-V338 HydrophobicContact CB-CB 4.43Å; L318-V338 HydrophobicContact CB-CG1 3.9Å; L318-V338 HydrophobicContact CD1-CB 4.37Å; L318-V338 HydrophobicContact CD1-CG2 4.24Å; L320-V338 HydrophobicContact CD1-CG1 3.78Å; L320-V338 HydrophobicContact CD1-CG2 4.41Å; L320-V338 HydrophobicContact CD2-CG1 4.23Å; L320-V338 HydrophobicContact CG-CG1 3.92Å; A334-V338 VanDerWaalsContact O-CB 3.25Å; A334-V338 WeakPolarHBondContact O-CB 3.38Å; A334-V338 WeakPolarHBondContact O-CG2 3.16Å; A334-V338 PolarHBondContact O-N 3.48Å; A334-V338 VanDerWaalsContact O-N 3.13Å; V338-F342 HydrophobicContact CG1-CD1 4.08Å; V338-T343 HydrophobicContact CG1-CG2 3.86Å
339D92.1Very high92.2Very high13 Ų1340.5 Ų40.57%0.0724%0.242CC..  trans-95.2171-177.680.8-11.1000112.7I337 K341 F342 T343 H412 K416I337-D339 VanDerWaalsContact C-N 3.27Å; I337-D339 PolarHBondContact O-N 2.81Å; D339-K341 PolarHBondContact O-N 3.01Å; D339-K341 VanDerWaalsContact O-N 3.14Å; D339-K341 WeakPolarHBondContact OD1-CB 3.47Å; D339-K341 PolarHBondContact OD1-N 2.83Å; D339-K341 VanDerWaalsContact OD1-N 3.16Å; D339-F342 PolarHBondContact O-N 2.77Å; D339-F342 VanDerWaalsContact O-N 3.12Å; D339-F342 WeakPolarHBondContact OD1-CB 3.33Å; D339-F342 PolarHBondContact OD1-N 2.8Å; D339-T343 PolarHBondContact O-N 2.82Å; D339-T343 PolarHBondContact O-OG1 2.82Å; D339-H412 IonicContact OD1-NE2 3.21Å; D339-H412 IonicContact OD2-CD2 2.68Å; D339-H412 IonicContact OD2-CE1 2.83Å; D339-H412 IonicContact OD2-NE2 3.4Å; D339-H412 PolarHBondContact OD2-NE2 2.9Å; D339-K416 VanDerWaalsContact CG-NZ 3.32Å; D339-K416 WeakPolarHBondContact OD2-CE 3.24Å; D339-K416 IonicContact OD2-NZ 2.92Å; D339-K416 PolarHBondContact OD2-NZ 3.26Å
340P93.1Very high92.4Very high107 Ų10745.3 Ų45.370%0.69527%0.273SS*.Hα-helixtrans-58.6-26.3179-27.636.5000114.4T343 A344P340-T343 WeakPolarHBondContact CA-OG1 3.38Å; P340-T343 PolarHBondContact O-OG1 2.83Å; P340-T343 VanDerWaalsContact O-OG1 3.11Å; P340-A344 WeakPolarHBondContact O-CB 3.48Å; P340-A344 PolarHBondContact O-N 2.84Å
341K93.7Very high92.5Very high127 Ų12746.7 Ų46.755%0.55229%0.29SS*.Hα-helixtrans-73.1-42.4177.1-68.4-175.6-178.3-179.60110.9D339 A345D339-K341 PolarHBondContact O-N 3.01Å; D339-K341 VanDerWaalsContact O-N 3.14Å; D339-K341 WeakPolarHBondContact OD1-CB 3.47Å; D339-K341 PolarHBondContact OD1-N 2.83Å; D339-K341 VanDerWaalsContact OD1-N 3.16Å; K341-A345 WeakPolarHBondContact O-CB 3.21Å; K341-A345 PolarHBondContact O-N 2.82Å
342F94.3Very high92.8Very high0 Ų046 Ų460%028%0.281CS..Hα-helixtrans-63.2-48.4174.8-177-98.1000111V286 L320 V338 D339 A344 A345 V346 I353 L356 L409 I413V286-F342 HydrophobicContact CG1-CE1 4.23Å; V286-F342 HydrophobicContact CG1-CZ 4.03Å; L320-F342 HydrophobicContact CD1-CE1 4.48Å; L320-F342 HydrophobicContact CD2-CD1 4.04Å; L320-F342 HydrophobicContact CD2-CE1 3.84Å; V338-F342 HydrophobicContact CG1-CD1 4.08Å; D339-F342 PolarHBondContact O-N 2.77Å; D339-F342 VanDerWaalsContact O-N 3.12Å; D339-F342 WeakPolarHBondContact OD1-CB 3.33Å; D339-F342 PolarHBondContact OD1-N 2.8Å; F342-A344 PolarHBondContact O-N 2.95Å; F342-A345 PolarHBondContact O-N 2.8Å; F342-A345 VanDerWaalsContact O-N 3.16Å; F342-V346 HydrophobicContact CD1-CG2 4.12Å; F342-V346 HydrophobicContact CE1-CG2 3.77Å; F342-V346 HydrophobicContact CZ-CG2 3.98Å; F342-V346 WeakPolarHBondContact O-CG2 3.19Å; F342-V346 PolarHBondContact O-N 3.27Å; F342-I353 HydrophobicContact CZ-CG2 4.42Å; F342-L356 HydrophobicContact CE2-CD2 4.21Å; F342-L409 HydrophobicContact CD2-CD2 4.45Å; F342-I413 HydrophobicContact CD2-CD1 3.88Å; F342-I413 HydrophobicContact CE2-CD1 4.16Å
343T93.7Very high93Very high32 Ų3243.2 Ų43.220%0.19627%0.268CS..Hα-helixtrans-63.5-40.7178.758.30000111.9L318 L320 V338 D339 P340 A345 V346 A347L318-T343 WeakPolarHBondContact O-CG2 3.39Å; L320-T343 HydrophobicContact CD2-CG2 3.98Å; L320-T343 HydrophobicContact CG-CG2 4.38Å; V338-T343 HydrophobicContact CG1-CG2 3.86Å; D339-T343 PolarHBondContact O-N 2.82Å; D339-T343 PolarHBondContact O-OG1 2.82Å; P340-T343 WeakPolarHBondContact CA-OG1 3.38Å; P340-T343 PolarHBondContact O-OG1 2.83Å; P340-T343 VanDerWaalsContact O-OG1 3.11Å; T343-A345 VanDerWaalsContact C-N 3.33Å; T343-A345 PolarHBondContact O-N 2.83Å; T343-V346 PolarHBondContact O-N 3.43Å; T343-A347 WeakPolarHBondContact O-CB 3.26Å; T343-A347 PolarHBondContact O-N 3.18Å
344A94.3Very high93.2Very high58 Ų5843.9 Ų43.948%0.47927%0.271SS..Hα-helixtrans-62.6-38.3173.700000112.6P340 F342 A347 K348P340-A344 WeakPolarHBondContact O-CB 3.48Å; P340-A344 PolarHBondContact O-N 2.84Å; F342-A344 PolarHBondContact O-N 2.95Å; A344-A347 PolarHBondContact O-N 3.08Å; A344-K348 VanDerWaalsContact O-CB 3.29Å; A344-K348 WeakPolarHBondContact O-CB 3.27Å; A344-K348 PolarHBondContact O-N 3.1Å
345A94.6Very high93.4Very high13 Ų1345.9 Ų45.911%0.10728%0.279CS..Hα-helixtrans-67.9-41.2176.200000112.4K341 F342 T343 A347 K348 Y349 I353 L406 L409K341-A345 WeakPolarHBondContact O-CB 3.21Å; K341-A345 PolarHBondContact O-N 2.82Å; F342-A345 PolarHBondContact O-N 2.8Å; F342-A345 VanDerWaalsContact O-N 3.16Å; T343-A345 VanDerWaalsContact C-N 3.33Å; T343-A345 PolarHBondContact O-N 2.83Å; A345-A347 VanDerWaalsContact C-N 3.3Å; A345-A347 PolarHBondContact O-N 2.66Å; A345-K348 PolarHBondContact O-N 2.68Å; A345-Y349 WeakPolarHBondContact O-CD2 3.38Å; A345-Y349 PolarHBondContact O-N 3.21Å; A345-I353 HydrophobicContact CB-CD1 4.36Å; A345-L406 HydrophobicContact CB-CD2 4.38Å; A345-L409 HydrophobicContact CB-CD1 4.33Å; A345-L409 HydrophobicContact CB-CD2 3.45Å; A345-L409 VanDerWaalsContact CB-CD2 3.45Å; A345-L409 HydrophobicContact CB-CG 4.47Å
346V94.1Very high93.7Very high5 Ų542.9 Ų42.93%0.0325%0.254CS..Hα-helixtrans-60.7-41.4174.1172.90000110.9L320 P321 F324 F342 T343 Y349 I353L320-V346 HydrophobicContact CD2-CB 4.41Å; L320-V346 HydrophobicContact CD2-CG1 4.4Å; L320-V346 HydrophobicContact CD2-CG2 4.12Å; P321-V346 HydrophobicContact CG-CG1 3.91Å; F324-V346 HydrophobicContact CD2-CG1 4.39Å; F324-V346 HydrophobicContact CE1-CG1 4.43Å; F324-V346 HydrophobicContact CE1-CG2 4.43Å; F324-V346 HydrophobicContact CE2-CG1 3.71Å; F324-V346 HydrophobicContact CZ-CG1 3.74Å; F324-V346 HydrophobicContact CZ-CG2 4.32Å; F342-V346 HydrophobicContact CD1-CG2 4.12Å; F342-V346 HydrophobicContact CE1-CG2 3.77Å; F342-V346 HydrophobicContact CZ-CG2 3.98Å; F342-V346 WeakPolarHBondContact O-CG2 3.19Å; F342-V346 PolarHBondContact O-N 3.27Å; T343-V346 PolarHBondContact O-N 3.43Å; V346-Y349 CarbonylContact O-C 3.58Å; V346-I353 HydrophobicContact CG2-CD1 3.68Å
347A93.6Very high93.8Very high79 Ų7940.2 Ų40.265%0.65324%0.24SC*.Hα-helixtrans-68.4-39.1176.700000112.7T343 A344 A345T343-A347 WeakPolarHBondContact O-CB 3.26Å; T343-A347 PolarHBondContact O-N 3.18Å; A344-A347 PolarHBondContact O-N 3.08Å; A345-A347 VanDerWaalsContact C-N 3.3Å; A345-A347 PolarHBondContact O-N 2.66Å
348K94.3Very high93.9Very high148 Ų14840.1 Ų40.164%0.64324%0.239SC*.Hα-helixtrans-72.5-34.4-179.9-174.8173.7178178.50113.1A344 A345 P350A344-K348 VanDerWaalsContact O-CB 3.29Å; A344-K348 WeakPolarHBondContact O-CB 3.27Å; A344-K348 PolarHBondContact O-N 3.1Å; A345-K348 PolarHBondContact O-N 2.68Å; K348-P350 VanDerWaalsContact C-CD 3.44Å; K348-P350 VanDerWaalsContact O-CD 3.32Å; K348-P350 WeakPolarHBondContact O-CD 3.41Å
349Y93.4Very high93.9Very high38 Ų3839.6 Ų39.615%0.14924%0.236CC..SBendtrans-121.168.6-177.5-57.9-77.7000111.4A345 V346 G351 C352 P405 L406A345-Y349 WeakPolarHBondContact O-CD2 3.38Å; A345-Y349 PolarHBondContact O-N 3.21Å; V346-Y349 CarbonylContact O-C 3.58Å; Y349-G351 PolarHBondContact O-N 3.4Å; Y349-C352 PolarHBondContact O-N 2.92Å; Y349-P405 HydrophobicContact CE2-CB 4.4Å; Y349-P405 WeakPolarHBondContact OH-CB 3.24Å; Y349-P405 VanDerWaalsContact OH-CG 3.27Å; Y349-P405 WeakPolarHBondContact OH-CG 3.21Å; Y349-L406 HydrophobicContact CD2-CD2 3.63Å; Y349-L406 HydrophobicContact CD2-CG 4.16Å; Y349-L406 HydrophobicContact CE2-CD2 4.1Å; Y349-L406 HydrophobicContact CE2-CG 4.45Å; Y349-L406 HydrophobicContact CG-CD1 4.4Å; Y349-L406 HydrophobicContact CG-CD2 4.24Å; Y349-L406 HydrophobicContact CG-CG 4.47Å
350P90.8Very high93.9Very high103 Ų10339.3 Ų39.367%0.66924%0.235SC*.THydrogen-bonded Turntrans-62.1131.6-176.527.1-35000110.7K348 C352K348-P350 VanDerWaalsContact C-CD 3.44Å; K348-P350 VanDerWaalsContact O-CD 3.32Å; K348-P350 WeakPolarHBondContact O-CD 3.41Å; P350-C352 PolarHBondContact O-N 3.23Å
351G90.2Very high93.8Very high37 Ų3736.1 Ų36.138%0.38121%0.211SC..THydrogen-bonded Turntrans78.6-13178.500000115.5Q288 Y349 N388Q288-G351 PolarHBondContact NE2-O 2.68Å; Y349-G351 PolarHBondContact O-N 3.4Å; G351-N388 PolarHBondContact O-ND2 3.17Å
352C94.2Very high93.6Very high11 Ų1132 Ų327%0.07419%0.192CC..THydrogen-bonded Turntrans-79.2-32.6-179.9-610000112.4Y349 P350 L387 N388 L403 L406Y349-C352 PolarHBondContact O-N 2.92Å; P350-C352 PolarHBondContact O-N 3.23Å; C352-L387 CarbonylContact O-C 3.56Å; C352-L387 WeakPolarHBondContact O-CA 3.4Å; C352-N388 WeakPolarHBondContact CA-O 3.4Å; C352-N388 PolarHBondContact O-N 2.99Å; C352-L403 HydrophobicContact CB-CD2 3.94Å; C352-L406 HydrophobicContact CB-CD1 4.13Å
353I95.4Very high93.3Very high2 Ų233.1 Ų33.11%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-86117.5172.7-62170.8000107.7Q288 F324 F342 A345 V346 L385 L387 L406 L409Q288-I353 PolarHBondContact NE2-O 3.36Å; F324-I353 HydrophobicContact CE1-CG2 4.47Å; F342-I353 HydrophobicContact CZ-CG2 4.42Å; A345-I353 HydrophobicContact CB-CD1 4.36Å; V346-I353 HydrophobicContact CG2-CD1 3.68Å; I353-L385 HydrophobicContact CG2-CD1 4.3Å; I353-L387 HydrophobicContact CB-CD2 4.5Å; I353-L387 HydrophobicContact CG1-CD2 3.95Å; I353-L406 HydrophobicContact CD1-CD2 4.16Å; I353-L406 HydrophobicContact CG1-CD2 4.3Å; I353-L409 HydrophobicContact CD1-CD2 4.13Å
354D94.9Very high92.4Very high13 Ų1335 Ų357%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-86.8-63.3178.9-16438.2000110.2G287 Q288 S291 V386 N388G287-D354 CarbonylContact C-O 3.58Å; G287-D354 WeakPolarHBondContact CA-O 3.15Å; Q288-D354 PolarHBondContact N-O 2.75Å; S291-D354 WeakPolarHBondContact CB-OD1 3.47Å; S291-D354 VanDerWaalsContact CB-OD2 3.3Å; S291-D354 WeakPolarHBondContact CB-OD2 3.29Å; S291-D354 PolarHBondContact OG-OD1 2.98Å; S291-D354 PolarHBondContact OG-OD2 2.88Å; D354-V386 HydrophobicContact CB-CB 4.35Å; D354-V386 HydrophobicContact CB-CG1 4.12Å; D354-V386 WeakPolarHBondContact CB-O 3.47Å; D354-V386 PolarHBondContact N-O 2.73Å; D354-N388 WeakPolarHBondContact CB-ND2 3.19Å; D354-N388 PolarHBondContact OD1-ND2 3.32Å
355Y95.5Very high91.1Very high42 Ų4236.4 Ų36.417%0.16522%0.224CC..EExtended strand (participates in β ladder)trans-155.8158173.266.6-88000112.3V286 V295 H357 I384 V386V286-Y355 CarbonylContact O-C 3.57Å; V286-Y355 VanDerWaalsContact O-CA 3.27Å; V286-Y355 WeakPolarHBondContact O-CA 3.48Å; V295-Y355 HydrophobicContact CG1-CD2 4.36Å; V295-Y355 HydrophobicContact CG1-CE2 3.97Å; V295-Y355 HydrophobicContact CG2-CD1 3.9Å; V295-Y355 HydrophobicContact CG2-CD2 4.34Å; V295-Y355 HydrophobicContact CG2-CE1 3.53Å; V295-Y355 HydrophobicContact CG2-CE2 4Å; V295-Y355 HydrophobicContact CG2-CG 4.29Å; Y355-H357 HydrophobicContact CD2-CB 4.14Å; Y355-H357 HydrophobicContact CE2-CB 4.21Å; Y355-I384 HydrophobicContact CE2-CG2 4.39Å; Y355-V386 HydrophobicContact CD1-CB 3.95Å; Y355-V386 HydrophobicContact CD1-CG1 4.47Å; Y355-V386 HydrophobicContact CD1-CG2 4.3Å; Y355-V386 HydrophobicContact CD2-CG2 4.42Å; Y355-V386 HydrophobicContact CE1-CB 3.63Å; Y355-V386 HydrophobicContact CE1-CG1 3.98Å; Y355-V386 HydrophobicContact CE1-CG2 3.6Å; Y355-V386 HydrophobicContact CE2-CB 4.37Å; Y355-V386 HydrophobicContact CE2-CG2 3.75Å; Y355-V386 HydrophobicContact CG-CB 4.45Å; Y355-V386 PolarHBondContact N-O 3.14Å; Y355-V386 PolarHBondContact O-N 2.86Å; Y355-V386 WeakPolarHBondContact OH-CG2 3.23Å
356L96.3Very high89.5Confident1 Ų141.9 Ų41.91%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-117.9128169.3168.865.2000107.1F284 A285 V286 I337 F342 I358 V383 I384 L385 I413F284-L356 HydrophobicContact CE1-CD2 4.17Å; A285-L356 CarbonylContact C-O 3.47Å; A285-L356 VanDerWaalsContact CA-O 3.23Å; A285-L356 WeakPolarHBondContact CA-O 3.44Å; V286-L356 HydrophobicContact CG1-CB 3.84Å; V286-L356 HydrophobicContact CG1-CD2 4.02Å; V286-L356 HydrophobicContact CG1-CG 4.31Å; V286-L356 PolarHBondContact N-O 2.85Å; V286-L356 PolarHBondContact O-N 2.8Å; I337-L356 HydrophobicContact CG2-CD2 3.82Å; F342-L356 HydrophobicContact CE2-CD2 4.21Å; L356-I358 HydrophobicContact CD1-CD1 4.42Å; L356-I358 HydrophobicContact CD1-CG1 4.09Å; L356-I358 HydrophobicContact CD2-CD1 4.36Å; L356-I358 HydrophobicContact CG-CD1 4.46Å; L356-I358 HydrophobicContact CG-CG1 4.27Å; L356-V383 HydrophobicContact CD1-CG1 4.13Å; L356-I384 CarbonylContact C-O 3.57Å; L356-I384 WeakPolarHBondContact CA-O 3.41Å; L356-L385 HydrophobicContact CB-CD1 4.15Å; L356-L385 HydrophobicContact CD1-CB 4.44Å; L356-L385 HydrophobicContact CD1-CD1 4.4Å; L356-I413 HydrophobicContact CD1-CG2 3.8Å; L356-I413 HydrophobicContact CD2-CD1 4.24Å; L356-I413 HydrophobicContact CD2-CG2 3.84Å; L356-I413 HydrophobicContact CG-CG2 4.48Å
357H95.1Very high87.8Confident2 Ų245.4 Ų45.41%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-127.7121177.3179.5-157.5000109.2D301 Y355 Y362 I384D301-H357 IonicContact OD1-CE1 3.47Å; D301-H357 IonicContact OD2-CE1 3.6Å; D301-H357 PolarHBondContact OD2-CE1 3.07Å; D301-H357 IonicContact OD2-NE2 3.74Å; D301-H357 PolarHBondContact OD2-NE2 2.85Å; Y355-H357 HydrophobicContact CD2-CB 4.14Å; Y355-H357 HydrophobicContact CE2-CB 4.21Å; H357-Y362 AromaticContact CE1-CD2 3.9Å; H357-I384 HydrophobicContact CB-CB 4.31Å; H357-I384 PolarHBondContact N-O 3.21Å; H357-I384 PolarHBondContact O-N 3.38Å
358I95Very high86.1Confident0 Ų047.4 Ų47.40%027%0.268CS..EExtended strand (participates in β ladder)trans-120.7125.9176.5-54.7177.6000107.1M279 Y282 F284 I337 L356 V382 V383 I413 A417M279-I358 HydrophobicContact SD-CG2 4.09Å; Y282-I358 HydrophobicContact CD2-CG2 4.43Å; Y282-I358 HydrophobicContact CE2-CG2 3.68Å; F284-I358 HydrophobicContact CB-CB 4.47Å; F284-I358 HydrophobicContact CD1-CD1 4.13Å; F284-I358 HydrophobicContact CD1-CG1 4.38Å; F284-I358 PolarHBondContact N-O 3.09Å; F284-I358 PolarHBondContact O-N 2.76Å; I337-I358 HydrophobicContact CD1-CD1 3.99Å; I337-I358 HydrophobicContact CG1-CD1 4.14Å; I337-I358 HydrophobicContact CG2-CD1 3.81Å; L356-I358 HydrophobicContact CD1-CD1 4.42Å; L356-I358 HydrophobicContact CD1-CG1 4.09Å; L356-I358 HydrophobicContact CD2-CD1 4.36Å; L356-I358 HydrophobicContact CG-CD1 4.46Å; L356-I358 HydrophobicContact CG-CG1 4.27Å; I358-V382 WeakPolarHBondContact CA-O 3.02Å; I358-V383 HydrophobicContact CG1-CG1 4.22Å; I358-V383 HydrophobicContact CG1-CG2 4.19Å; I358-V383 HydrophobicContact CG2-CG2 4.11Å; I358-I413 HydrophobicContact CD1-CG2 4.26Å; I358-A417 HydrophobicContact CD1-CB 4.12Å; I358-A417 HydrophobicContact CG2-CB 4.39Å
359S93.3Very high84.4Confident0 Ų050.1 Ų50.10%028%0.283CS..EExtended strand (participates in β ladder)trans-153.2136-177.2177.30000110.6D301 Q361 Y362 K381 V382D301-S359 WeakPolarHBondContact OD2-CB 3.42Å; D301-S359 PolarHBondContact OD2-OG 2.93Å; S359-Q361 PolarHBondContact OG-N 3.47Å; S359-Q361 VanDerWaalsContact OG-N 3.09Å; S359-Y362 PolarHBondContact OG-N 3.14Å; S359-K381 WeakPolarHBondContact O-CA 3.08Å; S359-V382 PolarHBondContact N-O 3.21Å; S359-V382 VanDerWaalsContact N-O 3.09Å; S359-V382 PolarHBondContact O-N 2.89Å
360D92.6Very high82.6Confident8 Ų853.4 Ų53.44%0.04331%0.311CS..EExtended strand (participates in β ladder)trans-85.6-14.8166.970.8-55.9000112.8M279 Y282 S380 K381 R434M279-D360 HydrophobicContact CE-CB 3.67Å; Y282-D360 PolarHBondContact N-OD1 2.83Å; Y282-D360 PolarHBondContact O-N 3.25Å; D360-S380 CarbonylContact C-O 3.56Å; D360-K381 HydrophobicContact CB-CD 4.44Å; D360-K381 HydrophobicContact CB-CG 4.12Å; D360-R434 IonicContact OD1-CZ 2.77Å; D360-R434 IonicContact OD1-NE 3.52Å; D360-R434 IonicContact OD1-NH2 3.87Å; D360-R434 PolarHBondContact OD1-NH2 3.21Å; D360-R434 IonicContact OD2-CZ 2.8Å; D360-R434 IonicContact OD2-NE 3.52Å; D360-R434 PolarHBondContact OD2-NE 3.42Å; D360-R434 IonicContact OD2-NH2 3.58Å; D360-R434 PolarHBondContact OD2-NH2 3.32Å
361Q89.7Confident81.1Confident40 Ų4054.8 Ų54.819%0.18731%0.309CS..EExtended strand (participates in β ladder)trans-106.518.1-176.2-60.9-59.5-42.400112.5V283 D301 S359 V363 T379V283-Q361 HydrophobicContact CG2-CG 4.49Å; D301-Q361 HydrophobicContact CB-CB 4.08Å; S359-Q361 PolarHBondContact OG-N 3.47Å; S359-Q361 VanDerWaalsContact OG-N 3.09Å; Q361-V363 PolarHBondContact O-N 3.36Å; Q361-T379 HydrophobicContact CB-CG2 4.42Å
362Y90.9Very high79.6Confident41 Ų4158 Ų5816%0.16133%0.325CS..EExtended strand (participates in β ladder)trans-68.8128.5-174.6-179.6-95.6000111.8H357 S359 A364 T379 S380 V382 I384H357-Y362 AromaticContact CE1-CD2 3.9Å; S359-Y362 PolarHBondContact OG-N 3.14Å; Y362-A364 HydrophobicContact CE1-CB 4.02Å; Y362-T379 WeakPolarHBondContact O-CA 3.16Å; Y362-S380 WeakPolarHBondContact CB-O 3.07Å; Y362-S380 PolarHBondContact N-O 3.48Å; Y362-S380 PolarHBondContact O-N 2.93Å; Y362-S380 PolarHBondContact O-OG 3.39Å; Y362-S380 VanDerWaalsContact O-OG 3.08Å; Y362-V382 HydrophobicContact CD1-CB 4.46Å; Y362-V382 HydrophobicContact CD1-CG1 3.83Å; Y362-V382 HydrophobicContact CD1-CG2 3.85Å; Y362-V382 HydrophobicContact CD2-CG2 3.91Å; Y362-V382 HydrophobicContact CG-CB 4.46Å; Y362-V382 HydrophobicContact CG-CG1 4.22Å; Y362-V382 HydrophobicContact CG-CG2 3.42Å; Y362-V382 VanDerWaalsContact CG-CG2 3.42Å; Y362-I384 HydrophobicContact CD2-CD1 4.05Å; Y362-I384 HydrophobicContact CE1-CD1 4.48Å; Y362-I384 HydrophobicContact CE2-CD1 3.61Å
363V86.9Confident78.1Confident22 Ų2260.6 Ų60.613%0.13334%0.341CS..  trans-110.7119.5176.6-171.80000108.5Q361 S365 P377 T379Q361-V363 PolarHBondContact O-N 3.36Å; V363-S365 VanDerWaalsContact CG1-O 3.29Å; V363-S365 WeakPolarHBondContact CG1-O 3.3Å; V363-P377 HydrophobicContact CG1-CB 4.03Å; V363-P377 HydrophobicContact CG2-CB 3.95Å; V363-P377 HydrophobicContact CG2-CG 4.29Å; V363-T379 HydrophobicContact CG2-CG2 4.07Å
364A75.7Confident76.8Confident73 Ų7364.5 Ų64.560%0.60337%0.365SS*.SBendtrans-73.4-31.7-172.700000113.9Y362Y362-A364 HydrophobicContact CE1-CB 4.02Å
365S66.3Low75.8Confident86 Ų8671.6 Ų71.660%0.60140%0.395SS*.SBendtrans-110.4127.3177.652.30000109.4V363V363-S365 VanDerWaalsContact CG1-O 3.29Å; V363-S365 WeakPolarHBondContact CG1-O 3.3Å
366K62.1Low74.8Confident129 Ų12973.6 Ų73.656%0.56141%0.413SS*.PPolyproline II helixtrans-56.9131.6164.4-70.8-174.5176.9-174.90107.1D298 N368D298-K366 WeakPolarHBondContact O-CE 3.08Å; D298-K366 IonicContact OD1-NZ 3.49Å; D298-K366 PolarHBondContact OD1-NZ 2.83Å; K366-N368 PolarHBondContact O-N 3.41Å; K366-N368 VanDerWaalsContact O-N 3.11Å
367P57.5Low74Confident79 Ų7976.8 Ų76.851%0.51343%0.434SS..PPolyproline II helixtrans-57.7122.217123.8-30.3000106.9E369P367-E369 PolarHBondContact O-N 2.92Å; P367-E369 VanDerWaalsContact O-N 3.16Å
368N58.7Low73.5Confident120 Ų12082.9 Ų82.964%0.64247%0.471SS*.PPolyproline II helixtrans-58.1122.4170.3-82.3-12.2000106.9K366 S370 E371K366-N368 PolarHBondContact O-N 3.41Å; K366-N368 VanDerWaalsContact O-N 3.11Å; N368-S370 PolarHBondContact O-N 2.86Å; N368-E371 PolarHBondContact O-N 3.36Å; N368-E371 VanDerWaalsContact O-N 3.14Å
369E58.7Low73.2Confident205 Ų20585.7 Ų85.796%0.95849%0.489SS*.THydrogen-bonded Turntrans-59.5-17.1-175.5-67.5-179.1162.900112.8P367P367-E369 PolarHBondContact O-N 2.92Å; P367-E369 VanDerWaalsContact O-N 3.16Å
370S55.7Low73Confident108 Ų10887.3 Ų87.376%0.75550%0.5SS*.THydrogen-bonded Turntrans-76.8-16.4179.759.20000114.9N368N368-S370 PolarHBondContact O-N 2.86Å
371E58.3Low73.1Confident132 Ų13289 Ų8962%0.61751%0.507SS*.SBendtrans-108.1112.2-179.7-73-172.4179.300110.9N368 T373N368-E371 PolarHBondContact O-N 3.36Å; N368-E371 VanDerWaalsContact O-N 3.14Å; E371-T373 PolarHBondContact O-N 2.8Å
372S59.4Low73.4Confident103 Ų10387.1 Ų87.172%0.7250%0.498SS*.  trans-64.283.2167.764.10000109.3T374S372-T374 PolarHBondContact O-N 2.76Å; S372-T374 VanDerWaalsContact O-N 3.14Å
373T61.6Low73.7Confident67 Ų6785.3 Ų85.341%0.41149%0.491SS..  trans-69.6112.1-176.229.20000109.1E371 K375E371-T373 PolarHBondContact O-N 2.8Å; T373-K375 VanDerWaalsContact C-N 3.25Å; T373-K375 PolarHBondContact O-N 2.83Å
374T68.5Low74.1Confident83 Ų8384.7 Ų84.751%0.50949%0.487SS..  trans-78.1-14.3179.152.10000112.9S372 R449S372-T374 PolarHBondContact O-N 2.76Å; S372-T374 VanDerWaalsContact O-N 3.14Å; T374-R449 VanDerWaalsContact CB-NH2 3.27Å; T374-R449 PolarHBondContact O-NH2 3.15Å; T374-R449 VanDerWaalsContact O-NH2 3.07Å
375K74.2Confident75.2Confident163 Ų16381.2 Ų81.271%0.70946%0.458SS*.SBendtrans-105.7141.7179.9-63.5-176.6-178177.20109.9T373T373-K375 VanDerWaalsContact C-N 3.25Å; T373-K375 PolarHBondContact O-N 2.83Å
376P74.9Confident76.7Confident83 Ų8377.4 Ų77.454%0.53943%0.431SS..PPolyproline II helixtrans-61.1148.9174.227.6-34.3000110.7F441P376-F441 HydrophobicContact CB-CD1 4.29Å; P376-F441 HydrophobicContact CB-CE1 4.01Å
377P79.6Confident78.3Confident68 Ų6871.3 Ų71.344%0.44241%0.405SS..PPolyproline II helixtrans-62.8140.9179.226.7-34000110.7V363 T379V363-P377 HydrophobicContact CG1-CB 4.03Å; V363-P377 HydrophobicContact CG2-CB 3.95Å; V363-P377 HydrophobicContact CG2-CG 4.29Å; P377-T379 PolarHBondContact O-N 2.89Å
378V83.6Confident80.2Confident131 Ų13168 Ų6879%0.79438%0.383SS*.PPolyproline II helixtrans-72.9117175.5-178.90000108.5
379T88.3Confident81.9Confident59 Ų5962.4 Ų62.436%0.36235%0.353SS..PPolyproline II helixtrans-96.1151.117956.80000111.4Q361 Y362 V363 P377Q361-T379 HydrophobicContact CB-CG2 4.42Å; Y362-T379 WeakPolarHBondContact O-CA 3.16Å; V363-T379 HydrophobicContact CG2-CG2 4.07Å; P377-T379 PolarHBondContact O-N 2.89Å
380S90.6Very high83.4Confident33 Ų3354.4 Ų54.423%0.23132%0.318CS..EExtended strand (participates in β ladder)trans-134.3145.8-179.857.80000110.5D360 Y362D360-S380 CarbonylContact C-O 3.56Å; Y362-S380 WeakPolarHBondContact CB-O 3.07Å; Y362-S380 PolarHBondContact N-O 3.48Å; Y362-S380 PolarHBondContact O-N 2.93Å; Y362-S380 PolarHBondContact O-OG 3.39Å; Y362-S380 VanDerWaalsContact O-OG 3.08Å
381K94.3Very high84.8Confident45 Ų4551 Ų5120%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-84.5114.6175.9-58.4-165.8179.2-176.40108.9L274 P276 M279 S359 D360L274-K381 HydrophobicContact CB-CB 4.02Å; L274-K381 PolarHBondContact N-O 3.06Å; P276-K381 WeakPolarHBondContact O-CE 3.32Å; P276-K381 PolarHBondContact O-NZ 3.19Å; M279-K381 HydrophobicContact CB-CD 4.03Å; M279-K381 HydrophobicContact CE-CB 3.77Å; M279-K381 HydrophobicContact CE-CD 4.14Å; M279-K381 HydrophobicContact CE-CG 4.05Å; M279-K381 PolarHBondContact O-NZ 2.94Å; S359-K381 WeakPolarHBondContact O-CA 3.08Å; D360-K381 HydrophobicContact CB-CD 4.44Å; D360-K381 HydrophobicContact CB-CG 4.12Å
382V95.3Very high86.1Confident0 Ų050.3 Ų50.30%029%0.293CS..EExtended strand (participates in β ladder)trans-133.4150.6-173.2-550000112.8F272 I358 S359 Y362 I384F272-V382 VanDerWaalsContact O-CA 3.24Å; F272-V382 WeakPolarHBondContact O-CA 3.48Å; I358-V382 WeakPolarHBondContact CA-O 3.02Å; S359-V382 PolarHBondContact N-O 3.21Å; S359-V382 VanDerWaalsContact N-O 3.09Å; S359-V382 PolarHBondContact O-N 2.89Å; Y362-V382 HydrophobicContact CD1-CB 4.46Å; Y362-V382 HydrophobicContact CD1-CG1 3.83Å; Y362-V382 HydrophobicContact CD1-CG2 3.85Å; Y362-V382 HydrophobicContact CD2-CG2 3.91Å; Y362-V382 HydrophobicContact CG-CB 4.46Å; Y362-V382 HydrophobicContact CG-CG1 4.22Å; Y362-V382 HydrophobicContact CG-CG2 3.42Å; Y362-V382 VanDerWaalsContact CG-CG2 3.42Å; V382-I384 HydrophobicContact CB-CG1 4.37Å; V382-I384 HydrophobicContact CG2-CD1 3.86Å; V382-I384 HydrophobicContact CG2-CG1 4.08Å
383V96.9Very high87.3Confident2 Ų247.1 Ų47.11%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-124.3115.3166.5175.20000107.2K271 F272 L274 L356 I358 I413 A417K271-V383 CarbonylContact C-O 3.53Å; K271-V383 WeakPolarHBondContact CA-O 3.36Å; F272-V383 HydrophobicContact CB-CB 4.33Å; F272-V383 HydrophobicContact CD2-CB 4.38Å; F272-V383 HydrophobicContact CD2-CG1 4.38Å; F272-V383 PolarHBondContact N-O 2.73Å; F272-V383 PolarHBondContact O-N 2.96Å; L274-V383 HydrophobicContact CD1-CB 4.37Å; L274-V383 HydrophobicContact CD1-CG2 3.82Å; L356-V383 HydrophobicContact CD1-CG1 4.13Å; I358-V383 HydrophobicContact CG1-CG1 4.22Å; I358-V383 HydrophobicContact CG1-CG2 4.19Å; I358-V383 HydrophobicContact CG2-CG2 4.11Å; V383-I413 HydrophobicContact CG1-CG2 4.1Å; V383-A417 HydrophobicContact CG2-CB 3.69Å
384I96.9Very high88.5Confident9 Ų949.9 Ų49.95%0.04628%0.28CS..EExtended strand (participates in β ladder)trans-117.1115.9-176.7-59.1165.6000108.2I270 K271 Y355 L356 H357 Y362 V382 V386I270-I384 WeakPolarHBondContact O-CA 3.16Å; K271-I384 HydrophobicContact CB-CG1 4.14Å; K271-I384 HydrophobicContact CD-CD1 4.49Å; K271-I384 HydrophobicContact CD-CG1 4.3Å; K271-I384 HydrophobicContact CG-CG1 3.87Å; Y355-I384 HydrophobicContact CE2-CG2 4.39Å; L356-I384 CarbonylContact C-O 3.57Å; L356-I384 WeakPolarHBondContact CA-O 3.41Å; H357-I384 HydrophobicContact CB-CB 4.31Å; H357-I384 PolarHBondContact N-O 3.21Å; H357-I384 PolarHBondContact O-N 3.38Å; Y362-I384 HydrophobicContact CD2-CD1 4.05Å; Y362-I384 HydrophobicContact CE1-CD1 4.48Å; Y362-I384 HydrophobicContact CE2-CD1 3.61Å; V382-I384 HydrophobicContact CB-CG1 4.37Å; V382-I384 HydrophobicContact CG2-CD1 3.86Å; V382-I384 HydrophobicContact CG2-CG1 4.08Å; I384-V386 HydrophobicContact CG2-CG2 3.95Å
385L97.5Very high89.5Confident1 Ų146 Ų461%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-110.4121.9170.4-179.768.2000109.1I270 I353 L356 L387 A410 I413I270-L385 PolarHBondContact N-O 2.78Å; I270-L385 PolarHBondContact O-N 2.94Å; I353-L385 HydrophobicContact CG2-CD1 4.3Å; L356-L385 HydrophobicContact CB-CD1 4.15Å; L356-L385 HydrophobicContact CD1-CB 4.44Å; L356-L385 HydrophobicContact CD1-CD1 4.4Å; L385-L387 HydrophobicContact CD1-CD2 4.31Å; L385-L387 HydrophobicContact CD2-CD2 4.05Å; L385-L387 HydrophobicContact CG-CD2 3.97Å; L385-L387 HydrophobicContact CG-CG 4.4Å; L385-A410 HydrophobicContact CD2-CB 3.6Å; L385-I413 HydrophobicContact CD2-CD1 4.47Å
386V97.2Very high90.4Very high5 Ų541.7 Ų41.73%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-109.9128176.3-177.90000110.3D354 Y355 I384D354-V386 HydrophobicContact CB-CB 4.35Å; D354-V386 HydrophobicContact CB-CG1 4.12Å; D354-V386 WeakPolarHBondContact CB-O 3.47Å; D354-V386 PolarHBondContact N-O 2.73Å; Y355-V386 HydrophobicContact CD1-CB 3.95Å; Y355-V386 HydrophobicContact CD1-CG1 4.47Å; Y355-V386 HydrophobicContact CD1-CG2 4.3Å; Y355-V386 HydrophobicContact CD2-CG2 4.42Å; Y355-V386 HydrophobicContact CE1-CB 3.63Å; Y355-V386 HydrophobicContact CE1-CG1 3.98Å; Y355-V386 HydrophobicContact CE1-CG2 3.6Å; Y355-V386 HydrophobicContact CE2-CB 4.37Å; Y355-V386 HydrophobicContact CE2-CG2 3.75Å; Y355-V386 HydrophobicContact CG-CB 4.45Å; Y355-V386 PolarHBondContact N-O 3.14Å; Y355-V386 PolarHBondContact O-N 2.86Å; Y355-V386 WeakPolarHBondContact OH-CG2 3.23Å; I384-V386 HydrophobicContact CG2-CG2 3.95Å
387L97Very high91.3Very high2 Ų242 Ų421%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-114.1139.3-180-54178.7000109.9T267 V268 I270 C352 I353 L385 L406T267-L387 CarbonylContact C-O 3.55Å; T267-L387 WeakPolarHBondContact CA-O 3.32Å; V268-L387 HydrophobicContact CB-CB 4.41Å; V268-L387 PolarHBondContact N-O 3.31Å; V268-L387 PolarHBondContact O-N 3.01Å; I270-L387 HydrophobicContact CD1-CD1 4.24Å; C352-L387 CarbonylContact O-C 3.56Å; C352-L387 WeakPolarHBondContact O-CA 3.4Å; I353-L387 HydrophobicContact CB-CD2 4.5Å; I353-L387 HydrophobicContact CG1-CD2 3.95Å; L385-L387 HydrophobicContact CD1-CD2 4.31Å; L385-L387 HydrophobicContact CD2-CD2 4.05Å; L385-L387 HydrophobicContact CG-CD2 3.97Å; L385-L387 HydrophobicContact CG-CG 4.4Å; L387-L406 HydrophobicContact CD1-CB 3.69Å; L387-L406 HydrophobicContact CD1-CD1 4.01Å; L387-L406 HydrophobicContact CD2-CB 4.4Å; L387-L406 HydrophobicContact CD2-CD1 3.94Å
388N96.1Very high91.9Very high10 Ų1046.8 Ų46.85%0.05325%0.251CS..EExtended strand (participates in β ladder)trans-94.4129.6169.7-64.9-34.8000109.3Y265 D266 T267 G351 C352 D354Y265-N388 HydrophobicContact CD1-CB 4.47Å; Y265-N388 HydrophobicContact CG-CB 4.3Å; D266-N388 WeakPolarHBondContact O-CA 3.42Å; T267-N388 WeakPolarHBondContact CG2-OD1 3.43Å; G351-N388 PolarHBondContact O-ND2 3.17Å; C352-N388 WeakPolarHBondContact CA-O 3.4Å; C352-N388 PolarHBondContact O-N 2.99Å; D354-N388 WeakPolarHBondContact CB-ND2 3.19Å; D354-N388 PolarHBondContact OD1-ND2 3.32Å
389V94.5Very high92.4Very high2 Ų242.7 Ų42.71%0.01223%0.225CC..PPolyproline II helixtrans-75.8128.6171.2-168.50000108.8D266 V268 A395 D399 V400 L403D266-V389 HydrophobicContact CB-CB 3.95Å; D266-V389 HydrophobicContact CB-CG2 3.75Å; D266-V389 PolarHBondContact O-N 3.28Å; V268-V389 HydrophobicContact CG2-CG2 4.12Å; V389-A395 HydrophobicContact CG1-CB 4.34Å; V389-D399 HydrophobicContact CG1-CB 4.04Å; V389-V400 HydrophobicContact CG1-CG2 3.78Å; V389-L403 HydrophobicContact CB-CD1 4.31Å; V389-L403 HydrophobicContact CG1-CD1 4.46Å; V389-L403 HydrophobicContact CG2-CD1 3.82Å
390P90.9Very high92.6Very high36 Ų3640.1 Ų40.123%0.23421%0.209CC..THydrogen-bonded Turntrans-63.1159.8172.820.5-23.2000111.3D399 C402P390-D399 HydrophobicContact CB-CB 4.5Å; P390-D399 HydrophobicContact CG-CB 3.92Å; P390-D399 WeakPolarHBondContact O-CB 3.4Å; P390-C402 WeakPolarHBondContact CG-SG 3.4Å
391G84.9Confident92.8Very high38 Ų3842.3 Ų42.339%0.39222%0.218SC..THydrogen-bonded Turntrans96.2-13.6177.200000116.4L393 N394 A395G391-L393 PolarHBondContact O-N 3.47Å; G391-N394 CarbonylContact O-C 3.55Å; G391-N394 PolarHBondContact O-N 3.43Å; G391-A395 PolarHBondContact O-N 3.08Å
392R86.8Confident92.7Very high116 Ų11642.3 Ų42.344%0.43822%0.223SC..G310 helixtrans52.3-129.1176.6-58.9175.3178.81681.7111.2R250 Y265 N394 A395R250-R392 PolarHBondContact NH2-O 3.16Å; R250-R392 VanDerWaalsContact NH2-O 3.1Å; Y265-R392 HydrophobicContact CD1-CG 3.67Å; Y265-R392 HydrophobicContact CE1-CG 3.44Å; Y265-R392 VanDerWaalsContact CE1-CG 3.44Å; Y265-R392 HydrophobicContact CG-CG 4.33Å; Y265-R392 VanDerWaalsContact CZ-NE 3.34Å; Y265-R392 PolarHBondContact OH-NE 2.97Å; Y265-R392 PolarHBondContact OH-NH2 3.25Å; R392-N394 PolarHBondContact O-N 2.72Å; R392-N394 VanDerWaalsContact O-N 3.15Å; R392-A395 WeakPolarHBondContact O-CB 3.42Å; R392-A395 PolarHBondContact O-N 3.14Å; R392-A395 VanDerWaalsContact O-N 3.13Å
393L84.4Confident92.6Very high36 Ų3642.4 Ų42.419%0.18822%0.224CC..G310 helixtrans-54.9-32.6177.1-73.4160.7000113.2I248 R250 G391I248-L393 HydrophobicContact CD1-CD2 4.35Å; I248-L393 HydrophobicContact CG2-CD2 4.05Å; R250-L393 PolarHBondContact NE-O 2.72Å; G391-L393 PolarHBondContact O-N 3.47Å
394N86.2Confident92.5Very high126 Ų12647.4 Ų47.467%0.67425%0.245SC*.G310 helixtrans-97.617.1-176.6-67.5-23.9000113.7G391 R392 T396G391-N394 CarbonylContact O-C 3.55Å; G391-N394 PolarHBondContact O-N 3.43Å; R392-N394 PolarHBondContact O-N 2.72Å; R392-N394 VanDerWaalsContact O-N 3.15Å; N394-T396 PolarHBondContact O-N 3.45Å; N394-T396 PolarHBondContact O-OG1 2.95Å
395A89.5Confident92.3Very high0 Ų050 Ų500%026%0.263CS..  trans-47.9131.8174.900000111.2K183 L187 D266 V389 G391 R392K183-A395 WeakPolarHBondContact CE-O 3.48Å; K183-A395 PolarHBondContact NZ-O 3.19Å; L187-A395 HydrophobicContact CD1-CB 4.32Å; D266-A395 WeakPolarHBondContact OD2-CB 3.37Å; V389-A395 HydrophobicContact CG1-CB 4.34Å; G391-A395 PolarHBondContact O-N 3.08Å; R392-A395 WeakPolarHBondContact O-CB 3.42Å; R392-A395 PolarHBondContact O-N 3.14Å; R392-A395 VanDerWaalsContact O-N 3.13Å
396T93Very high92.2Very high73 Ų7350 Ų5045%0.44826%0.263SS..  trans-113.3161.6178.5-550000109.1L187 N394 K398 D399 V400L187-T396 VanDerWaalsContact CD2-C 3.47Å; N394-T396 PolarHBondContact O-N 3.45Å; N394-T396 PolarHBondContact O-OG1 2.95Å; T396-K398 PolarHBondContact O-N 3.01Å; T396-K398 VanDerWaalsContact O-N 3.12Å; T396-D399 PolarHBondContact N-OD2 3.41Å; T396-D399 WeakPolarHBondContact O-CB 3.3Å; T396-D399 PolarHBondContact O-N 3.29Å; T396-V400 PolarHBondContact O-N 3.16Å
397E93.3Very high92.1Very high91 Ų9150 Ų5043%0.42526%0.262SS..Hα-helixtrans-51.5-36.7175-64.4168.2-164.400112.2A190 D399 V400 L401A190-E397 HydrophobicContact CB-CB 4.09Å; A190-E397 HydrophobicContact CB-CG 3.96Å; E397-D399 VanDerWaalsContact C-N 3.31Å; E397-D399 PolarHBondContact O-N 3.1Å; E397-V400 WeakPolarHBondContact O-CB 3.35Å; E397-V400 PolarHBondContact O-N 3.04Å; E397-V400 VanDerWaalsContact O-N 3.15Å; E397-L401 VanDerWaalsContact O-CG 3.25Å; E397-L401 WeakPolarHBondContact O-CG 3.41Å; E397-L401 PolarHBondContact O-N 2.97Å
398K93.6Very high92Very high168 Ų16852.5 Ų52.573%0.7328%0.279SS*.Hα-helixtrans-59.8-37.3175.2-64.3-179.8-178.2174.80113.6T396 V400 L401 C402T396-K398 PolarHBondContact O-N 3.01Å; T396-K398 VanDerWaalsContact O-N 3.12Å; K398-V400 VanDerWaalsContact C-N 3.32Å; K398-L401 PolarHBondContact O-N 3.45Å; K398-C402 PolarHBondContact O-N 2.82Å; K398-C402 VanDerWaalsContact O-N 3.08Å
399D93.2Very high92Very high45 Ų4552.9 Ų52.924%0.24128%0.281CS..Hα-helixtrans-70.2-34.1178.4-60.8-43.3000110.9V389 P390 T396 E397 C402V389-D399 HydrophobicContact CG1-CB 4.04Å; P390-D399 HydrophobicContact CB-CB 4.5Å; P390-D399 HydrophobicContact CG-CB 3.92Å; P390-D399 WeakPolarHBondContact O-CB 3.4Å; T396-D399 PolarHBondContact N-OD2 3.41Å; T396-D399 WeakPolarHBondContact O-CB 3.3Å; T396-D399 PolarHBondContact O-N 3.29Å; E397-D399 VanDerWaalsContact C-N 3.31Å; E397-D399 PolarHBondContact O-N 3.1Å; D399-C402 PolarHBondContact O-SG 3.06Å
400V93.4Very high92Very high4 Ų452.9 Ų52.92%0.02428%0.281CS..Hα-helixtrans-69.6-44.2174175.90000110.5L187 W191 V389 T396 E397 K398 C402 L403L187-V400 HydrophobicContact CB-CG2 4.25Å; L187-V400 HydrophobicContact CD2-CG2 3.7Å; W191-V400 HydrophobicContact CB-CG1 3.4Å; W191-V400 HydrophobicContact CG-CG1 3.97Å; V389-V400 HydrophobicContact CG1-CG2 3.78Å; T396-V400 PolarHBondContact O-N 3.16Å; E397-V400 WeakPolarHBondContact O-CB 3.35Å; E397-V400 PolarHBondContact O-N 3.04Å; E397-V400 VanDerWaalsContact O-N 3.15Å; K398-V400 VanDerWaalsContact C-N 3.32Å; V400-C402 PolarHBondContact O-N 2.64Å; V400-L403 WeakPolarHBondContact O-CB 3.35Å; V400-L403 PolarHBondContact O-N 3.32Å
401L93.8Very high92.2Very high80 Ų8051.6 Ų51.642%0.41927%0.272SS..Hα-helixtrans-64-27.3179.2-67.7175.6000112.8A194 E397 K398 L403 K404A194-L401 HydrophobicContact CB-CD2 3.34Å; E397-L401 VanDerWaalsContact O-CG 3.25Å; E397-L401 WeakPolarHBondContact O-CG 3.41Å; E397-L401 PolarHBondContact O-N 2.97Å; K398-L401 PolarHBondContact O-N 3.45Å; L401-L403 PolarHBondContact O-N 2.92Å; L401-K404 VanDerWaalsContact O-CB 3.3Å; L401-K404 WeakPolarHBondContact O-CB 3.28Å; L401-K404 PolarHBondContact O-N 3.4Å; L401-K404 VanDerWaalsContact O-N 3.15Å
402C93Very high92.7Very high45 Ų4551.9 Ų51.930%0.30426%0.263SS..THydrogen-bonded Turntrans-65.3-19.3175.990.20000112.8P390 K398 D399 V400 P405P390-C402 WeakPolarHBondContact CG-SG 3.4Å; K398-C402 PolarHBondContact O-N 2.82Å; K398-C402 VanDerWaalsContact O-N 3.08Å; D399-C402 PolarHBondContact O-SG 3.06Å; V400-C402 PolarHBondContact O-N 2.64Å; C402-P405 WeakPolarHBondContact O-CD 3.48Å
403L93.4Very high93.2Very high2 Ų246.6 Ų46.61%0.0124%0.243CC..THydrogen-bonded Turntrans-81.3-12.6177-57.6179.7000113.4V268 C352 V389 V400 L401 P405 L406V268-L403 HydrophobicContact CG2-CD1 4.3Å; C352-L403 HydrophobicContact CB-CD2 3.94Å; V389-L403 HydrophobicContact CB-CD1 4.31Å; V389-L403 HydrophobicContact CG1-CD1 4.46Å; V389-L403 HydrophobicContact CG2-CD1 3.82Å; V400-L403 WeakPolarHBondContact O-CB 3.35Å; V400-L403 PolarHBondContact O-N 3.32Å; L401-L403 PolarHBondContact O-N 2.92Å; L403-P405 VanDerWaalsContact C-N 3.29Å; L403-P405 VanDerWaalsContact O-N 3.13Å; L403-L406 HydrophobicContact CD2-CD1 3.79Å; L403-L406 WeakPolarHBondContact O-CB 3.27Å; L403-L406 PolarHBondContact O-N 3.47Å
404K93.2Very high93.7Very high107 Ų10744.9 Ų44.947%0.46523%0.234SC..THydrogen-bonded Turntrans-46.7-43.9-178.9-179.6176.2-178.3162.30113.5A194 L401 L406 L407 P408A194-K404 VanDerWaalsContact O-CE 3.23Å; A194-K404 WeakPolarHBondContact O-CE 3.44Å; A194-K404 PolarHBondContact O-NZ 3.28Å; A194-K404 VanDerWaalsContact O-NZ 3.13Å; L401-K404 VanDerWaalsContact O-CB 3.3Å; L401-K404 WeakPolarHBondContact O-CB 3.28Å; L401-K404 PolarHBondContact O-N 3.4Å; L401-K404 VanDerWaalsContact O-N 3.15Å; K404-L406 PolarHBondContact O-N 3.48Å; K404-L407 PolarHBondContact O-N 2.93Å; K404-P408 VanDerWaalsContact O-CD 3.26Å; K404-P408 WeakPolarHBondContact O-CD 3.46Å
405P93.4Very high94.1Very high64 Ų6440.4 Ų40.442%0.41621%0.209SC..THydrogen-bonded Turntrans-71.1-12.1-179.2-21.838.3000114.8Y349 C402 L403Y349-P405 HydrophobicContact CE2-CB 4.4Å; Y349-P405 WeakPolarHBondContact OH-CB 3.24Å; Y349-P405 VanDerWaalsContact OH-CG 3.27Å; Y349-P405 WeakPolarHBondContact OH-CG 3.21Å; C402-P405 WeakPolarHBondContact O-CD 3.48Å; L403-P405 VanDerWaalsContact C-N 3.29Å; L403-P405 VanDerWaalsContact O-N 3.13Å
406L94.9Very high94.3Very high1 Ų143 Ų431%0.00522%0.22CC..Hα-helixtrans-82.7-18.9177.2-63.5172.7000112.4A345 Y349 C352 I353 L387 L403 K404 L409 A410A345-L406 HydrophobicContact CB-CD2 4.38Å; Y349-L406 HydrophobicContact CD2-CD2 3.63Å; Y349-L406 HydrophobicContact CD2-CG 4.16Å; Y349-L406 HydrophobicContact CE2-CD2 4.1Å; Y349-L406 HydrophobicContact CE2-CG 4.45Å; Y349-L406 HydrophobicContact CG-CD1 4.4Å; Y349-L406 HydrophobicContact CG-CD2 4.24Å; Y349-L406 HydrophobicContact CG-CG 4.47Å; C352-L406 HydrophobicContact CB-CD1 4.13Å; I353-L406 HydrophobicContact CD1-CD2 4.16Å; I353-L406 HydrophobicContact CG1-CD2 4.3Å; L387-L406 HydrophobicContact CD1-CB 3.69Å; L387-L406 HydrophobicContact CD1-CD1 4.01Å; L387-L406 HydrophobicContact CD2-CB 4.4Å; L387-L406 HydrophobicContact CD2-CD1 3.94Å; L403-L406 HydrophobicContact CD2-CD1 3.79Å; L403-L406 WeakPolarHBondContact O-CB 3.27Å; L403-L406 PolarHBondContact O-N 3.47Å; K404-L406 PolarHBondContact O-N 3.48Å; L406-L409 HydrophobicContact CD2-CD2 3.96Å; L406-L409 WeakPolarHBondContact O-CB 3.19Å; L406-L409 PolarHBondContact O-N 2.85Å; L406-A410 PolarHBondContact O-N 2.8Å
407L95.3Very high94.3Very high3 Ų339.5 Ų39.52%0.01620%0.199CC..Hα-helixtrans-65.1-49.4174.6-177.667000111.4N195 F198 L199 I270 K404 L409 A410 F411N195-L407 HydrophobicContact CB-CD2 3.67Å; N195-L407 VanDerWaalsContact OD1-CD2 3.27Å; N195-L407 WeakPolarHBondContact OD1-CD2 3.3Å; F198-L407 HydrophobicContact CD1-CD2 3.57Å; F198-L407 HydrophobicContact CD1-CG 3.91Å; F198-L407 HydrophobicContact CE1-CD2 4.14Å; F198-L407 HydrophobicContact CE1-CG 3.95Å; L199-L407 HydrophobicContact CD2-CD2 4.04Å; L199-L407 HydrophobicContact CG-CD2 4.28Å; I270-L407 HydrophobicContact CD1-CD1 3.74Å; I270-L407 HydrophobicContact CG1-CD1 4.44Å; K404-L407 PolarHBondContact O-N 2.93Å; L407-L409 PolarHBondContact O-N 3.4Å; L407-A410 WeakPolarHBondContact O-CA 3.35Å; L407-A410 VanDerWaalsContact O-CB 3.24Å; L407-A410 WeakPolarHBondContact O-CB 3.42Å; L407-A410 PolarHBondContact O-N 2.9Å; L407-F411 HydrophobicContact CD1-CD2 4.32Å; L407-F411 HydrophobicContact CD1-CE2 3.9Å; L407-F411 HydrophobicContact CG-CD2 4.38Å; L407-F411 HydrophobicContact CG-CE2 4.07Å; L407-F411 WeakPolarHBondContact O-CD2 3.41Å; L407-F411 PolarHBondContact O-N 2.85Å
408P95.3Very high94.3Very high56 Ų5636.5 Ų36.536%0.36418%0.184SC..Hα-helixtrans-56.4-33.4171.2-27.134.2000114.3F198 K404 F411 H412F198-P408 HydrophobicContact CE1-CG 4.33Å; F198-P408 HydrophobicContact CE2-CB 4.41Å; F198-P408 HydrophobicContact CE2-CG 4Å; F198-P408 HydrophobicContact CZ-CB 4.05Å; F198-P408 HydrophobicContact CZ-CG 3.87Å; K404-P408 VanDerWaalsContact O-CD 3.26Å; K404-P408 WeakPolarHBondContact O-CD 3.46Å; P408-F411 PolarHBondContact O-N 3.32Å; P408-H412 PolarHBondContact O-N 3.05Å
409L95.1Very high94.3Very high17 Ų1736.8 Ų36.89%0.08918%0.18CC..Hα-helixtrans-63.4-41.8173.5177.470.8000111.2F342 A345 I353 L406 L407 F411 H412 I413F342-L409 HydrophobicContact CD2-CD2 4.45Å; A345-L409 HydrophobicContact CB-CD1 4.33Å; A345-L409 HydrophobicContact CB-CD2 3.45Å; A345-L409 VanDerWaalsContact CB-CD2 3.45Å; A345-L409 HydrophobicContact CB-CG 4.47Å; I353-L409 HydrophobicContact CD1-CD2 4.13Å; L406-L409 HydrophobicContact CD2-CD2 3.96Å; L406-L409 WeakPolarHBondContact O-CB 3.19Å; L406-L409 PolarHBondContact O-N 2.85Å; L407-L409 PolarHBondContact O-N 3.4Å; L409-F411 VanDerWaalsContact C-N 3.3Å; L409-F411 PolarHBondContact O-N 3.41Å; L409-H412 WeakPolarHBondContact O-CB 3.42Å; L409-H412 PolarHBondContact O-N 3.37Å; L409-I413 HydrophobicContact CD1-CD1 4.36Å; L409-I413 HydrophobicContact CD1-CG1 4.47Å; L409-I413 HydrophobicContact CD2-CD1 4.48Å; L409-I413 HydrophobicContact CG-CD1 3.92Å; L409-I413 HydrophobicContact CG-CG1 4.47Å; L409-I413 VanDerWaalsContact O-CG1 3.3Å; L409-I413 WeakPolarHBondContact O-CG1 3.48Å; L409-I413 PolarHBondContact O-N 3.32Å
410A96.1Very high94.2Very high2 Ų235.8 Ų35.82%0.01717%0.174CC..Hα-helixtrans-57.9-43.3176.200000111.7I270 F272 L385 L406 L407 I413 F414I270-A410 HydrophobicContact CD1-CB 4.06Å; I270-A410 HydrophobicContact CG2-CB 4.31Å; F272-A410 HydrophobicContact CE2-CB 4.02Å; F272-A410 HydrophobicContact CZ-CB 4.35Å; L385-A410 HydrophobicContact CD2-CB 3.6Å; L406-A410 PolarHBondContact O-N 2.8Å; L407-A410 WeakPolarHBondContact O-CA 3.35Å; L407-A410 VanDerWaalsContact O-CB 3.24Å; L407-A410 WeakPolarHBondContact O-CB 3.42Å; L407-A410 PolarHBondContact O-N 2.9Å; A410-I413 PolarHBondContact O-N 2.83Å; A410-F414 WeakPolarHBondContact O-CB 3.4Å; A410-F414 PolarHBondContact O-N 2.89Å
411F95.4Very high94.3Very high9 Ų941.2 Ų41.24%0.03919%0.194CC..Hα-helixtrans-67.4-38.1175.7-80.8-103000112.9F198 L199 N202 F203 M241 F272 L407 P408 L409 F414 E415F198-F411 HydrophobicContact CD1-CE2 4.29Å; F198-F411 AromaticContact CE1-CD2 3.65Å; F198-F411 HydrophobicContact CE1-CD2 3.65Å; F198-F411 AromaticContact CE1-CE2 3.59Å; F198-F411 HydrophobicContact CE1-CE2 3.59Å; F198-F411 HydrophobicContact CE1-CG 4.23Å; F198-F411 HydrophobicContact CE1-CZ 4.12Å; F198-F411 HydrophobicContact CZ-CD2 4.28Å; F198-F411 HydrophobicContact CZ-CG 4.48Å; L199-F411 HydrophobicContact CD2-CE2 4.25Å; L199-F411 HydrophobicContact CD2-CZ 4.11Å; N202-F411 HydrophobicContact CB-CD1 4.48Å; N202-F411 HydrophobicContact CB-CE1 3.66Å; N202-F411 HydrophobicContact CB-CZ 4.04Å; F203-F411 HydrophobicContact CD2-CE1 4.4Å; F203-F411 HydrophobicContact CD2-CZ 4.11Å; F203-F411 AromaticContact CE2-CE1 3.68Å; F203-F411 HydrophobicContact CE2-CE1 3.68Å; F203-F411 AromaticContact CE2-CZ 3.37Å; F203-F411 HydrophobicContact CE2-CZ 3.37Å; F203-F411 HydrophobicContact CZ-CE1 4.02Å; F203-F411 HydrophobicContact CZ-CZ 4.08Å; M241-F411 HydrophobicContact SD-CE2 4.28Å; M241-F411 HydrophobicContact SD-CZ 4.26Å; F272-F411 HydrophobicContact CE1-CD1 4.42Å; F272-F411 HydrophobicContact CE1-CD2 4.47Å; F272-F411 HydrophobicContact CE1-CE1 4.25Å; F272-F411 HydrophobicContact CE1-CE2 4.31Å; F272-F411 HydrophobicContact CE1-CZ 4.25Å; F272-F411 AromaticContact CZ-CD2 3.94Å; F272-F411 HydrophobicContact CZ-CD2 3.94Å; F272-F411 HydrophobicContact CZ-CE2 4.05Å; F272-F411 HydrophobicContact CZ-CG 4.25Å; F272-F411 HydrophobicContact CZ-CZ 4.44Å; L407-F411 HydrophobicContact CD1-CD2 4.32Å; L407-F411 HydrophobicContact CD1-CE2 3.9Å; L407-F411 HydrophobicContact CG-CD2 4.38Å; L407-F411 HydrophobicContact CG-CE2 4.07Å; L407-F411 WeakPolarHBondContact O-CD2 3.41Å; L407-F411 PolarHBondContact O-N 2.85Å; P408-F411 PolarHBondContact O-N 3.32Å; L409-F411 VanDerWaalsContact C-N 3.3Å; L409-F411 PolarHBondContact O-N 3.41Å; F411-F414 WeakPolarHBondContact O-CB 3.4Å; F411-F414 PolarHBondContact O-N 3.04Å; F411-E415 WeakPolarHBondContact O-CG 3.42Å; F411-E415 PolarHBondContact O-N 3.49Å
412H95.3Very high94.2Very high45 Ų4538.1 Ų38.121%0.20818%0.178CC..Hα-helixtrans-61.7-43.6173.5172.280000111.6D339 P408 L409 E415 K416D339-H412 IonicContact OD1-NE2 3.21Å; D339-H412 IonicContact OD2-CD2 2.68Å; D339-H412 IonicContact OD2-CE1 2.83Å; D339-H412 IonicContact OD2-NE2 3.4Å; D339-H412 PolarHBondContact OD2-NE2 2.9Å; P408-H412 PolarHBondContact O-N 3.05Å; L409-H412 WeakPolarHBondContact O-CB 3.42Å; L409-H412 PolarHBondContact O-N 3.37Å; H412-E415 PolarHBondContact O-N 2.83Å; H412-K416 PolarHBondContact O-N 3.38Å
413I95.6Very high94.3Very high4 Ų438.3 Ų38.32%0.02118%0.18CC..Hα-helixtrans-63.8-44175.7-64.6160.8000110.6F342 L356 I358 V383 L385 L409 A410 K416 A417F342-I413 HydrophobicContact CD2-CD1 3.88Å; F342-I413 HydrophobicContact CE2-CD1 4.16Å; L356-I413 HydrophobicContact CD1-CG2 3.8Å; L356-I413 HydrophobicContact CD2-CD1 4.24Å; L356-I413 HydrophobicContact CD2-CG2 3.84Å; L356-I413 HydrophobicContact CG-CG2 4.48Å; I358-I413 HydrophobicContact CD1-CG2 4.26Å; V383-I413 HydrophobicContact CG1-CG2 4.1Å; L385-I413 HydrophobicContact CD2-CD1 4.47Å; L409-I413 HydrophobicContact CD1-CD1 4.36Å; L409-I413 HydrophobicContact CD1-CG1 4.47Å; L409-I413 HydrophobicContact CD2-CD1 4.48Å; L409-I413 HydrophobicContact CG-CD1 3.92Å; L409-I413 HydrophobicContact CG-CG1 4.47Å; L409-I413 VanDerWaalsContact O-CG1 3.3Å; L409-I413 WeakPolarHBondContact O-CG1 3.48Å; L409-I413 PolarHBondContact O-N 3.32Å; A410-I413 PolarHBondContact O-N 2.83Å; I413-K416 WeakPolarHBondContact O-CB 3.31Å; I413-K416 PolarHBondContact O-N 3.31Å; I413-A417 WeakPolarHBondContact O-CB 3.46Å; I413-A417 PolarHBondContact O-N 3.25Å
414F95.3Very high94.4Very high0 Ų047.9 Ų47.90%022%0.216CC..Hα-helixtrans-56.5-50.7175.4166.3-94.7000111.9C238 F272 L274 A410 F411 K416 A417 R418C238-F414 HydrophobicContact CB-CE2 4.06Å; C238-F414 HydrophobicContact CB-CZ 3.66Å; F272-F414 HydrophobicContact CB-CD2 3.53Å; F272-F414 HydrophobicContact CB-CE2 3.93Å; F272-F414 HydrophobicContact CB-CG 4.49Å; F272-F414 AromaticContact CD1-CD2 3.88Å; F272-F414 HydrophobicContact CD1-CD2 3.88Å; F272-F414 HydrophobicContact CD1-CE2 4.32Å; F272-F414 HydrophobicContact CD1-CG 4.16Å; F272-F414 HydrophobicContact CD2-CB 4.06Å; F272-F414 HydrophobicContact CD2-CD2 4.2Å; F272-F414 HydrophobicContact CD2-CG 4.43Å; F272-F414 HydrophobicContact CE2-CB 4.16Å; F272-F414 HydrophobicContact CG-CB 4.25Å; F272-F414 AromaticContact CG-CD2 3.61Å; F272-F414 HydrophobicContact CG-CD2 3.61Å; F272-F414 HydrophobicContact CG-CE2 4.29Å; F272-F414 HydrophobicContact CG-CG 4.12Å; F272-F414 HydrophobicContact CZ-CB 4.44Å; L274-F414 HydrophobicContact CD1-CD2 3.93Å; L274-F414 HydrophobicContact CD1-CE2 3.7Å; L274-F414 HydrophobicContact CD2-CE2 4.28Å; L274-F414 HydrophobicContact CG-CD2 4.29Å; L274-F414 HydrophobicContact CG-CE2 3.65Å; L274-F414 HydrophobicContact CG-CZ 4.49Å; A410-F414 WeakPolarHBondContact O-CB 3.4Å; A410-F414 PolarHBondContact O-N 2.89Å; F411-F414 WeakPolarHBondContact O-CB 3.4Å; F411-F414 PolarHBondContact O-N 3.04Å; F414-K416 VanDerWaalsContact C-N 3.29Å; F414-K416 PolarHBondContact O-N 3.47Å; F414-A417 PolarHBondContact O-N 2.82Å; F414-R418 WeakPolarHBondContact O-CB 3.3Å; F414-R418 PolarHBondContact O-N 2.98Å
415E94.2Very high94.4Very high33 Ų3350.4 Ų50.415%0.15423%0.229CC..Hα-helixtrans-62.9-36.7178.6-73.9-65155.300112.1R235 F411 H412 R418 R419R235-E415 IonicContact CZ-OE1 3.81Å; R235-E415 IonicContact NE-OE1 3.99Å; R235-E415 PolarHBondContact NE-OE1 3.35Å; R235-E415 IonicContact NH2-OE1 2.89Å; R235-E415 PolarHBondContact NH2-OE1 3.4Å; F411-E415 WeakPolarHBondContact O-CG 3.42Å; F411-E415 PolarHBondContact O-N 3.49Å; H412-E415 PolarHBondContact O-N 2.83Å; E415-R418 IonicContact OE1-NH2 3.51Å; E415-R418 IonicContact OE2-CZ 2.65Å; E415-R418 IonicContact OE2-NE 3.58Å; E415-R418 PolarHBondContact OE2-NE 2.98Å; E415-R418 IonicContact OE2-NH2 3.49Å; E415-R418 PolarHBondContact OE2-NH2 2.81Å; E415-R419 WeakPolarHBondContact O-CB 3.34Å; E415-R419 VanDerWaalsContact O-CG 3.25Å; E415-R419 WeakPolarHBondContact O-CG 3.19Å; E415-R419 PolarHBondContact O-N 3.33Å; E415-R419 IonicContact OE2-CZ 2.79Å; E415-R419 IonicContact OE2-NE 3.61Å; E415-R419 PolarHBondContact OE2-NE 3.31Å; E415-R419 IonicContact OE2-NH2 2.85Å
416K93.8Very high94.3Very high53 Ų5347.8 Ų47.823%0.2321%0.212CC..Hα-helixtrans-63.3-50.3173.1-85.9-159165.2-154.30112.3N336 I337 D339 H412 I413 F414 R418 R419 F420N336-K416 PolarHBondContact O-NZ 2.96Å; I337-K416 HydrophobicContact CD1-CB 4.45Å; D339-K416 VanDerWaalsContact CG-NZ 3.32Å; D339-K416 WeakPolarHBondContact OD2-CE 3.24Å; D339-K416 IonicContact OD2-NZ 2.92Å; D339-K416 PolarHBondContact OD2-NZ 3.26Å; H412-K416 PolarHBondContact O-N 3.38Å; I413-K416 WeakPolarHBondContact O-CB 3.31Å; I413-K416 PolarHBondContact O-N 3.31Å; F414-K416 VanDerWaalsContact C-N 3.29Å; F414-K416 PolarHBondContact O-N 3.47Å; K416-R418 PolarHBondContact O-N 2.81Å; K416-R419 PolarHBondContact O-N 3.45Å; K416-F420 WeakPolarHBondContact O-CB 3.37Å; K416-F420 PolarHBondContact O-N 2.98Å
417A94.3Very high94.2Very high0 Ų052.6 Ų52.60%023%0.234CC..Hα-helixtrans-58.7-39.6-179.600000111.5Y282 I337 I358 V383 I413 F414Y282-A417 VanDerWaalsContact OH-CA 3.24Å; Y282-A417 WeakPolarHBondContact OH-CA 3.2Å; Y282-A417 PolarHBondContact OH-O 3.09Å; I337-A417 HydrophobicContact CD1-CB 4.41Å; I358-A417 HydrophobicContact CD1-CB 4.12Å; I358-A417 HydrophobicContact CG2-CB 4.39Å; V383-A417 HydrophobicContact CG2-CB 3.69Å; I413-A417 WeakPolarHBondContact O-CB 3.46Å; I413-A417 PolarHBondContact O-N 3.25Å; F414-A417 PolarHBondContact O-N 2.82Å
418R93.5Very high94.1Very high28 Ų2858 Ų5811%0.10626%0.259CS..Hα-helixtrans-66.9-45.7176.5-170.6175.169.9127.6-10.6113.3L274 E278 F414 E415 K416L274-R418 HydrophobicContact CD2-CB 4.22Å; E278-R418 HydrophobicContact CB-CG 3.99Å; E278-R418 IonicContact OE1-NH1 3.98Å; E278-R418 IonicContact OE2-NH1 3.87Å; F414-R418 WeakPolarHBondContact O-CB 3.3Å; F414-R418 PolarHBondContact O-N 2.98Å; E415-R418 IonicContact OE1-NH2 3.51Å; E415-R418 IonicContact OE2-CZ 2.65Å; E415-R418 IonicContact OE2-NE 3.58Å; E415-R418 PolarHBondContact OE2-NE 2.98Å; E415-R418 IonicContact OE2-NH2 3.49Å; E415-R418 PolarHBondContact OE2-NH2 2.81Å; K416-R418 PolarHBondContact O-N 2.81Å
419R92.1Very high93.9Very high175 Ų17560.4 Ų60.466%0.6626%0.263SS*.Hα-helixtrans-82.6-19.3-174.5-68.8172.4-178-95.61.5113.4E415 K416 R421E415-R419 WeakPolarHBondContact O-CB 3.34Å; E415-R419 VanDerWaalsContact O-CG 3.25Å; E415-R419 WeakPolarHBondContact O-CG 3.19Å; E415-R419 PolarHBondContact O-N 3.33Å; E415-R419 IonicContact OE2-CZ 2.79Å; E415-R419 IonicContact OE2-NE 3.61Å; E415-R419 PolarHBondContact OE2-NE 3.31Å; E415-R419 IonicContact OE2-NH2 2.85Å; K416-R419 PolarHBondContact O-N 3.45Å; R419-R421 PolarHBondContact O-N 2.88Å
420F93.1Very high93.7Very high23 Ų2359.6 Ų59.610%0.10126%0.259CS..  trans-68.3123.1-178.2-178-118.9000110.9Y282 E332 V333 N336 K416 L422Y282-F420 HydrophobicContact CD1-CD1 4.49Å; Y282-F420 AromaticContact CE1-CD1 3.9Å; Y282-F420 HydrophobicContact CE1-CD1 3.9Å; E332-F420 HydrophobicContact CB-CZ 4.48Å; E332-F420 HydrophobicContact CG-CZ 4.16Å; V333-F420 HydrophobicContact CB-CE1 4.31Å; V333-F420 HydrophobicContact CG2-CE1 3.81Å; N336-F420 HydrophobicContact CB-CD2 3.79Å; N336-F420 HydrophobicContact CB-CE2 3.55Å; N336-F420 HydrophobicContact CB-CG 4.39Å; N336-F420 HydrophobicContact CB-CZ 3.94Å; N336-F420 VanDerWaalsContact CG-CE2 3.45Å; N336-F420 VanDerWaalsContact ND2-CD2 3.26Å; N336-F420 WeakPolarHBondContact ND2-CD2 3.46Å; N336-F420 WeakPolarHBondContact ND2-CE2 3.17Å; K416-F420 WeakPolarHBondContact O-CB 3.37Å; K416-F420 PolarHBondContact O-N 2.98Å; F420-L422 HydrophobicContact CD1-CD2 4.32Å; F420-L422 HydrophobicContact CE1-CD2 3.54Å; F420-L422 HydrophobicContact CZ-CD2 4.15Å
421R93.9Very high93.5Very high118 Ų11863.8 Ų63.845%0.44528%0.278SS..  trans-110.8133.4175-62.9-63.2174.8-143.2-13.8109.4E278 D280 R419E278-R421 VanDerWaalsContact O-CZ 3.24Å; E278-R421 PolarHBondContact O-NH1 2.78Å; E278-R421 PolarHBondContact O-NH2 3.46Å; D280-R421 WeakPolarHBondContact OD1-CD 3.49Å; D280-R421 IonicContact OD1-CZ 3.72Å; D280-R421 IonicContact OD1-NE 3.47Å; D280-R421 IonicContact OD1-NH1 3.24Å; D280-R421 PolarHBondContact OD1-NH1 3.06Å; D280-R421 WeakPolarHBondContact OD2-CA 3.5Å; R419-R421 PolarHBondContact O-N 2.88Å
422L93.1Very high93.3Very high16 Ų1669.8 Ų69.88%0.08430%0.304CS..  trans-72.5150.9179.7-64.9176.2000110.7D280 P281 Y282 L330 E332 V333 F420 A426 K427 A430D280-L422 HydrophobicContact CB-CD1 3.99Å; D280-L422 HydrophobicContact CB-CG 3.86Å; D280-L422 PolarHBondContact OD2-N 3.5Å; P281-L422 WeakPolarHBondContact O-CD1 3.29Å; Y282-L422 HydrophobicContact CD1-CD1 4.19Å; Y282-L422 HydrophobicContact CD1-CD2 4.02Å; Y282-L422 HydrophobicContact CD1-CG 4.18Å; Y282-L422 HydrophobicContact CG-CD2 4.47Å; L330-L422 HydrophobicContact CD1-CD1 3.92Å; L330-L422 HydrophobicContact CD1-CD2 3.79Å; L330-L422 HydrophobicContact CD1-CG 4.48Å; E332-L422 HydrophobicContact CG-CD2 4.39Å; E332-L422 VanDerWaalsContact OE1-CA 3.24Å; E332-L422 WeakPolarHBondContact OE1-CA 3.27Å; E332-L422 WeakPolarHBondContact OE1-CB 3.39Å; E332-L422 WeakPolarHBondContact OE1-CD2 3.37Å; V333-L422 HydrophobicContact CG2-CD2 3.76Å; F420-L422 HydrophobicContact CD1-CD2 4.32Å; F420-L422 HydrophobicContact CE1-CD2 3.54Å; F420-L422 HydrophobicContact CZ-CD2 4.15Å; L422-A426 HydrophobicContact CB-CB 4.21Å; L422-K427 HydrophobicContact CB-CB 4.11Å; L422-A430 HydrophobicContact CD1-CB 4.33Å
423S94.6Very high93Very high49 Ų4969.1 Ų69.134%0.34330%0.303SS..  trans-61.9156.6167640000110.5E332 E425 A426 K427E332-S423 PolarHBondContact OE1-N 2.91Å; E332-S423 VanDerWaalsContact OE2-CB 3.32Å; E332-S423 WeakPolarHBondContact OE2-CB 3.13Å; E332-S423 PolarHBondContact OE2-OG 3.34Å; S423-E425 PolarHBondContact O-N 3.29Å; S423-A426 PolarHBondContact O-N 3.15Å; S423-A426 WeakPolarHBondContact OG-CB 3.24Å; S423-A426 PolarHBondContact OG-N 3Å; S423-K427 WeakPolarHBondContact O-CB 3.32Å; S423-K427 PolarHBondContact O-N 3.13Å
424R94.3Very high92.7Very high203 Ų20369.8 Ų69.877%0.76631%0.305SS*.Hα-helixtrans-54.9-41.9-178.8-176.8-179.1176.5-177.90.8112Q428R424-Q428 VanDerWaalsContact O-CG 3.3Å; R424-Q428 WeakPolarHBondContact O-CG 3.43Å; R424-Q428 PolarHBondContact O-N 2.86Å; R424-Q428 VanDerWaalsContact O-N 3.09Å
425E93.4Very high92.4Very high160 Ų16074.1 Ų74.175%0.74833%0.325SS*.Hα-helixtrans-67.3-46.5178.6-63.5-179.3178.800111.7S423 K427 Q428 K429S423-E425 PolarHBondContact O-N 3.29Å; E425-K427 VanDerWaalsContact C-N 3.34Å; E425-K427 PolarHBondContact O-N 3.37Å; E425-Q428 PolarHBondContact O-N 3.26Å; E425-K429 WeakPolarHBondContact O-CB 3.44Å; E425-K429 PolarHBondContact O-N 2.9Å
426A92Very high92.2Very high8 Ų874.9 Ų74.97%0.06633%0.333CS..Hα-helixtrans-62.7-41.3178.300000112L330 E332 L422 S423 K429 A430L330-A426 HydrophobicContact CD1-CB 3.89Å; L330-A426 HydrophobicContact CD2-CB 4.13Å; E332-A426 VanDerWaalsContact CD-CB 3.43Å; E332-A426 HydrophobicContact CG-CB 4.3Å; E332-A426 WeakPolarHBondContact OE1-CB 3.49Å; L422-A426 HydrophobicContact CB-CB 4.21Å; S423-A426 PolarHBondContact O-N 3.15Å; S423-A426 WeakPolarHBondContact OG-CB 3.24Å; S423-A426 PolarHBondContact OG-N 3Å; A426-K429 PolarHBondContact O-N 3.35Å; A426-A430 VanDerWaalsContact O-CB 3.27Å; A426-A430 WeakPolarHBondContact O-CB 3.34Å; A426-A430 PolarHBondContact O-N 3.22Å
427K93.5Very high91.8Very high103 Ų10373.9 Ų73.945%0.44833%0.332SS..Hα-helixtrans-63-42.7175.3-171171.6-177.21670112.2L422 S423 E425 A430 E431L422-K427 HydrophobicContact CB-CB 4.11Å; S423-K427 WeakPolarHBondContact O-CB 3.32Å; S423-K427 PolarHBondContact O-N 3.13Å; E425-K427 VanDerWaalsContact C-N 3.34Å; E425-K427 PolarHBondContact O-N 3.37Å; K427-A430 PolarHBondContact O-N 2.72Å; K427-E431 WeakPolarHBondContact O-CB 3.44Å; K427-E431 PolarHBondContact O-N 3.18Å
428Q93Very high91.4Very high116 Ų11679.5 Ų79.554%0.54236%0.358SS..Hα-helixtrans-65-41.4175.9-75.4176.3-2.800112.1R424 E425 E431 K432R424-Q428 VanDerWaalsContact O-CG 3.3Å; R424-Q428 WeakPolarHBondContact O-CG 3.43Å; R424-Q428 PolarHBondContact O-N 2.86Å; R424-Q428 VanDerWaalsContact O-N 3.09Å; E425-Q428 PolarHBondContact O-N 3.26Å; Q428-E431 PolarHBondContact O-N 2.95Å; Q428-K432 WeakPolarHBondContact O-CB 3.48Å; Q428-K432 PolarHBondContact O-N 2.97Å
429K91Very high91.2Very high106 Ų10682.9 Ų82.946%0.46138%0.375SS..Hα-helixtrans-62.9-45.7175.7-175.5179.1177.7-168.50111.3L330 E425 A426 K432 N433L330-K429 HydrophobicContact CD2-CB 4.47Å; L330-K429 HydrophobicContact CD2-CD 3.89Å; L330-K429 HydrophobicContact CD2-CG 4.43Å; E425-K429 WeakPolarHBondContact O-CB 3.44Å; E425-K429 PolarHBondContact O-N 2.9Å; A426-K429 PolarHBondContact O-N 3.35Å; K429-K432 PolarHBondContact O-N 3.13Å; K429-N433 VanDerWaalsContact O-CG 3.28Å; K429-N433 PolarHBondContact O-N 3.44Å
430A90.6Very high90.9Very high0 Ų076.8 Ų76.80%036%0.359CS..Hα-helixtrans-57.4-50.617600000111.7P281 E329 L330 L422 A426 K427 K432 N433 R434P281-A430 HydrophobicContact CB-CB 4.38Å; P281-A430 HydrophobicContact CG-CB 4.26Å; P281-A430 WeakPolarHBondContact O-CB 3.5Å; E329-A430 WeakPolarHBondContact OE1-CA 3.23Å; L330-A430 HydrophobicContact CD1-CB 4.38Å; L422-A430 HydrophobicContact CD1-CB 4.33Å; A426-A430 VanDerWaalsContact O-CB 3.27Å; A426-A430 WeakPolarHBondContact O-CB 3.34Å; A426-A430 PolarHBondContact O-N 3.22Å; K427-A430 PolarHBondContact O-N 2.72Å; A430-K432 VanDerWaalsContact C-N 3.33Å; A430-K432 PolarHBondContact O-N 3.05Å; A430-N433 PolarHBondContact O-N 3.06Å; A430-R434 WeakPolarHBondContact O-CD 3.07Å; A430-R434 WeakPolarHBondContact O-CG 3.47Å; A430-R434 PolarHBondContact O-N 3.16Å; A430-R434 VanDerWaalsContact O-N 3.1Å; A430-R434 PolarHBondContact O-NH1 3.2Å
431E91.5Very high90.5Very high90 Ų9078.5 Ų78.542%0.42137%0.367SS..Hα-helixtrans-61-42.6178.8-173.955.4-147.100111.9K427 Q428 N433 R434 Q435K427-E431 WeakPolarHBondContact O-CB 3.44Å; K427-E431 PolarHBondContact O-N 3.18Å; Q428-E431 PolarHBondContact O-N 2.95Å; E431-N433 PolarHBondContact O-N 3.2Å; E431-R434 PolarHBondContact O-N 2.88Å; E431-Q435 WeakPolarHBondContact O-CG 3.46Å; E431-Q435 PolarHBondContact O-N 2.95Å; E431-Q435 PolarHBondContact OE1-NE2 2.87Å
432K91Very high90.2Very high135 Ų13577.8 Ų77.859%0.58737%0.371SS*.Hα-helixtrans-60.6-42.9175.4-174.8177.1179.7179.30112.3Q428 K429 A430 R434 Q435 C436Q428-K432 WeakPolarHBondContact O-CB 3.48Å; Q428-K432 PolarHBondContact O-N 2.97Å; K429-K432 PolarHBondContact O-N 3.13Å; A430-K432 VanDerWaalsContact C-N 3.33Å; A430-K432 PolarHBondContact O-N 3.05Å; K432-R434 VanDerWaalsContact C-N 3.31Å; K432-R434 PolarHBondContact O-N 2.78Å; K432-Q435 PolarHBondContact O-N 3.16Å; K432-C436 PolarHBondContact O-N 3.25Å; K432-C436 PolarHBondContact O-SG 3.34Å
433N89.2Confident90Very high32 Ų3283.5 Ų83.517%0.17140%0.395CS..Hα-helixtrans-60.7-41.6177-71.3-16.3000111.6Y308 E329 K429 A430 E431 C436 V437Y308-N433 HydrophobicContact CD1-CB 4.11Å; Y308-N433 HydrophobicContact CE1-CB 4.18Å; E329-N433 PolarHBondContact OE1-ND2 3.32Å; K429-N433 VanDerWaalsContact O-CG 3.28Å; K429-N433 PolarHBondContact O-N 3.44Å; A430-N433 PolarHBondContact O-N 3.06Å; E431-N433 PolarHBondContact O-N 3.2Å; N433-C436 PolarHBondContact O-N 3.29Å; N433-V437 WeakPolarHBondContact O-CG2 3.5Å; N433-V437 PolarHBondContact O-N 3.31Å
434R89.8Confident89.7Confident18 Ų1884.6 Ų84.67%0.06840%0.4CS..Hα-helixtrans-65-43.2177.9-72.1152.9-177.174.83.2111.7P281 Y308 E329 D360 A430 E431 K432 V437 Q438P281-R434 VanDerWaalsContact CB-CZ 3.49Å; P281-R434 PolarHBondContact O-NH2 3.43Å; Y308-R434 HydrophobicContact CE1-CG 3.96Å; E329-R434 IonicContact OE1-CZ 3.17Å; E329-R434 IonicContact OE1-NH1 3.62Å; E329-R434 PolarHBondContact OE1-NH1 3.09Å; E329-R434 IonicContact OE1-NH2 2.83Å; E329-R434 IonicContact OE2-CZ 3.23Å; E329-R434 IonicContact OE2-NH1 3.67Å; E329-R434 PolarHBondContact OE2-NH1 3.23Å; E329-R434 VanDerWaalsContact OE2-NH1 3.16Å; E329-R434 IonicContact OE2-NH2 3.16Å; E329-R434 PolarHBondContact OE2-NH2 2.84Å; D360-R434 IonicContact OD1-CZ 2.77Å; D360-R434 IonicContact OD1-NE 3.52Å; D360-R434 IonicContact OD1-NH2 3.87Å; D360-R434 PolarHBondContact OD1-NH2 3.21Å; D360-R434 IonicContact OD2-CZ 2.8Å; D360-R434 IonicContact OD2-NE 3.52Å; D360-R434 PolarHBondContact OD2-NE 3.42Å; D360-R434 IonicContact OD2-NH2 3.58Å; D360-R434 PolarHBondContact OD2-NH2 3.32Å; A430-R434 WeakPolarHBondContact O-CD 3.07Å; A430-R434 WeakPolarHBondContact O-CG 3.47Å; A430-R434 PolarHBondContact O-N 3.16Å; A430-R434 VanDerWaalsContact O-N 3.1Å; A430-R434 PolarHBondContact O-NH1 3.2Å; E431-R434 PolarHBondContact O-N 2.88Å; K432-R434 VanDerWaalsContact C-N 3.31Å; K432-R434 PolarHBondContact O-N 2.78Å; R434-V437 PolarHBondContact O-N 2.92Å; R434-Q438 WeakPolarHBondContact O-CB 3.38Å; R434-Q438 PolarHBondContact O-N 3.02Å
435Q89.7Confident89.3Confident91 Ų9175.4 Ų75.443%0.42537%0.367SS..Hα-helixtrans-60.4-45.1172.9-69.7172.59.400111.6E431 K432 V437 Q438 E439E431-Q435 WeakPolarHBondContact O-CG 3.46Å; E431-Q435 PolarHBondContact O-N 2.95Å; E431-Q435 PolarHBondContact OE1-NE2 2.87Å; K432-Q435 PolarHBondContact O-N 3.16Å; Q435-V437 VanDerWaalsContact C-N 3.32Å; Q435-V437 PolarHBondContact O-N 3.4Å; Q435-Q438 PolarHBondContact O-N 3.01Å; Q435-E439 WeakPolarHBondContact O-CB 3.32Å; Q435-E439 WeakPolarHBondContact O-CG 3.35Å; Q435-E439 PolarHBondContact O-N 3.29Å
436C88.9Confident89.2Confident48 Ų4872.9 Ų72.932%0.32435%0.354SS..Hα-helixtrans-60.9-39176.8-69.60000112.8K432 N433 S440K432-C436 PolarHBondContact O-N 3.25Å; K432-C436 PolarHBondContact O-SG 3.34Å; N433-C436 PolarHBondContact O-N 3.29Å; C436-S440 WeakPolarHBondContact O-CB 3.37Å; C436-S440 PolarHBondContact O-N 3.46Å
437V85.4Confident89.1Confident33 Ų3374.9 Ų74.920%0.237%0.371CS..Hα-helixtrans-69.3-42.7176.5170.80000111.2M307 Y308 N433 R434 Q435 E439 S440 F441M307-V437 HydrophobicContact CB-CG2 3.74Å; M307-V437 HydrophobicContact CG-CG2 4.3Å; M307-V437 HydrophobicContact SD-CG2 3.62Å; Y308-V437 HydrophobicContact CD2-CG2 4.5Å; Y308-V437 HydrophobicContact CE1-CG2 4.05Å; Y308-V437 HydrophobicContact CE2-CB 4.37Å; Y308-V437 HydrophobicContact CE2-CG1 4.23Å; Y308-V437 HydrophobicContact CE2-CG2 3.73Å; Y308-V437 VanDerWaalsContact CZ-CG2 3.48Å; Y308-V437 VanDerWaalsContact OH-CB 3.29Å; Y308-V437 WeakPolarHBondContact OH-CB 3.38Å; Y308-V437 WeakPolarHBondContact OH-CG1 3.29Å; Y308-V437 WeakPolarHBondContact OH-CG2 3.13Å; N433-V437 WeakPolarHBondContact O-CG2 3.5Å; N433-V437 PolarHBondContact O-N 3.31Å; R434-V437 PolarHBondContact O-N 2.92Å; Q435-V437 VanDerWaalsContact C-N 3.32Å; Q435-V437 PolarHBondContact O-N 3.4Å; V437-E439 VanDerWaalsContact C-N 3.34Å; V437-E439 PolarHBondContact O-N 3.13Å; V437-S440 WeakPolarHBondContact O-CB 3.35Å; V437-S440 PolarHBondContact O-N 2.8Å; V437-F441 WeakPolarHBondContact O-CB 3.17Å; V437-F441 PolarHBondContact O-N 2.77Å
438Q86Confident88.9Confident117 Ų11774.8 Ų74.855%0.54737%0.372SS..Hα-helixtrans-61.2-43.1174.8-173.3178.18.300111.6R434 Q435 F441 L442R434-Q438 WeakPolarHBondContact O-CB 3.38Å; R434-Q438 PolarHBondContact O-N 3.02Å; Q435-Q438 PolarHBondContact O-N 3.01Å; Q438-F441 PolarHBondContact O-N 3.47Å; Q438-L442 HydrophobicContact CG-CD1 4.37Å; Q438-L442 VanDerWaalsContact O-CG 3.29Å; Q438-L442 WeakPolarHBondContact O-CG 3.34Å; Q438-L442 PolarHBondContact O-N 2.8Å
439E88.6Confident88.6Confident100 Ų10075.5 Ų75.547%0.46737%0.37SS..Hα-helixtrans-63.1-43174.5-76.1-179.5-163.300112.3Q435 V437 F441 L442 K443Q435-E439 WeakPolarHBondContact O-CB 3.32Å; Q435-E439 WeakPolarHBondContact O-CG 3.35Å; Q435-E439 PolarHBondContact O-N 3.29Å; V437-E439 VanDerWaalsContact C-N 3.34Å; V437-E439 PolarHBondContact O-N 3.13Å; E439-F441 VanDerWaalsContact C-N 3.35Å; E439-L442 PolarHBondContact O-N 3.12Å; E439-K443 WeakPolarHBondContact O-CB 3.49Å; E439-K443 VanDerWaalsContact O-CG 3.25Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.3Å; E439-K443 IonicContact OE2-NZ 3.88Å
440S86.3Confident88.6Confident47 Ų4775.1 Ų75.133%0.32937%0.37SS..Hα-helixtrans-60.5-45.5176.3-173.30000111C436 V437 K443 T444C436-S440 WeakPolarHBondContact O-CB 3.37Å; C436-S440 PolarHBondContact O-N 3.46Å; V437-S440 WeakPolarHBondContact O-CB 3.35Å; V437-S440 PolarHBondContact O-N 2.8Å; S440-K443 PolarHBondContact O-N 2.92Å; S440-T444 PolarHBondContact O-N 3.29Å; S440-T444 PolarHBondContact O-OG1 3.22Å; S440-T444 VanDerWaalsContact O-OG1 3.05Å
441F84.9Confident88.6Confident59 Ų5980.1 Ų80.126%0.25939%0.393SS..Hα-helixtrans-58.5-50.5174.9-178.4-95.5000111.2P376 V437 Q438 E439 K443 T444 T445P376-F441 HydrophobicContact CB-CD1 4.29Å; P376-F441 HydrophobicContact CB-CE1 4.01Å; V437-F441 WeakPolarHBondContact O-CB 3.17Å; V437-F441 PolarHBondContact O-N 2.77Å; Q438-F441 PolarHBondContact O-N 3.47Å; E439-F441 VanDerWaalsContact C-N 3.35Å; F441-K443 VanDerWaalsContact C-N 3.33Å; F441-K443 PolarHBondContact O-N 3.07Å; F441-T444 PolarHBondContact O-N 3.37Å; F441-T445 WeakPolarHBondContact O-CB 3.44Å; F441-T445 PolarHBondContact O-N 3.22Å; F441-T445 PolarHBondContact O-OG1 3.35Å
442L87.2Confident88.6Confident102 Ų10277.8 Ų77.853%0.53439%0.389SS..Hα-helixtrans-60.5-40.1179.2-71.4172.6000112.7Q438 E439 H446Q438-L442 HydrophobicContact CG-CD1 4.37Å; Q438-L442 VanDerWaalsContact O-CG 3.29Å; Q438-L442 WeakPolarHBondContact O-CG 3.34Å; Q438-L442 PolarHBondContact O-N 2.8Å; E439-L442 PolarHBondContact O-N 3.12Å; L442-H446 VanDerWaalsContact O-CB 3.22Å; L442-H446 WeakPolarHBondContact O-CB 3.42Å; L442-H446 PolarHBondContact O-N 2.93Å
443K89.5Confident88.6Confident136 Ų13673.3 Ų73.359%0.59138%0.377SS*.Hα-helixtrans-64.1-47.4176.6-74.1171.4-170.6170.50111.3E439 S440 F441 H446 A447E439-K443 WeakPolarHBondContact O-CB 3.49Å; E439-K443 VanDerWaalsContact O-CG 3.25Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.3Å; E439-K443 IonicContact OE2-NZ 3.88Å; S440-K443 PolarHBondContact O-N 2.92Å; F441-K443 VanDerWaalsContact C-N 3.33Å; F441-K443 PolarHBondContact O-N 3.07Å; K443-H446 PolarHBondContact O-N 3.4Å; K443-A447 WeakPolarHBondContact O-CB 3.43Å; K443-A447 PolarHBondContact O-N 3.38Å
444T87.3Confident88.7Confident72 Ų7276.9 Ų76.944%0.44239%0.393SS..Hα-helixtrans-63.2-46.6178-590000111.4S440 F441 H446 A447 Q448S440-T444 PolarHBondContact O-N 3.29Å; S440-T444 PolarHBondContact O-OG1 3.22Å; S440-T444 VanDerWaalsContact O-OG1 3.05Å; F441-T444 PolarHBondContact O-N 3.37Å; T444-H446 VanDerWaalsContact C-N 3.32Å; T444-H446 PolarHBondContact O-N 3.37Å; T444-A447 PolarHBondContact O-N 2.98Å; T444-Q448 WeakPolarHBondContact O-CG 3.33Å; T444-Q448 PolarHBondContact O-N 2.91Å
445T87.6Confident88.8Confident11 Ų1181 Ų817%0.06741%0.413CS..Hα-helixtrans-62.8-38.7176.7-55.30000111.8F441 R449F441-T445 WeakPolarHBondContact O-CB 3.44Å; F441-T445 PolarHBondContact O-N 3.22Å; F441-T445 PolarHBondContact O-OG1 3.35Å; T445-R449 WeakPolarHBondContact O-CB 3.49Å; T445-R449 VanDerWaalsContact O-CG 3.24Å; T445-R449 WeakPolarHBondContact O-CG 3.14Å; T445-R449 PolarHBondContact O-N 3.47Å
446H89.5Confident88.8Confident107 Ų10784.6 Ų84.650%0.49542%0.423SS..Hα-helixtrans-66.7-43.4175.9179.7-95.4000111.8L442 K443 T444 R449 Q450L442-H446 VanDerWaalsContact O-CB 3.22Å; L442-H446 WeakPolarHBondContact O-CB 3.42Å; L442-H446 PolarHBondContact O-N 2.93Å; K443-H446 PolarHBondContact O-N 3.4Å; T444-H446 VanDerWaalsContact C-N 3.32Å; T444-H446 PolarHBondContact O-N 3.37Å; H446-R449 PolarHBondContact O-N 3.44Å; H446-Q450 PolarHBondContact CE1-NE2 3.47Å; H446-Q450 WeakPolarHBondContact O-CB 3.3Å; H446-Q450 WeakPolarHBondContact O-CG 3.47Å; H446-Q450 PolarHBondContact O-N 3.25Å
447A91Very high88.9Confident50 Ų5091.2 Ų91.241%0.41344%0.441SS..Hα-helixtrans-59.8-47.6175.300000111.6K443 T444 R449 Q450 E451K443-A447 WeakPolarHBondContact O-CB 3.43Å; K443-A447 PolarHBondContact O-N 3.38Å; T444-A447 PolarHBondContact O-N 2.98Å; A447-R449 VanDerWaalsContact C-N 3.34Å; A447-R449 PolarHBondContact O-N 2.94Å; A447-Q450 WeakPolarHBondContact O-CB 3.44Å; A447-Q450 PolarHBondContact O-N 2.88Å; A447-Q450 VanDerWaalsContact O-N 3.11Å; A447-E451 WeakPolarHBondContact O-CB 3.19Å; A447-E451 PolarHBondContact O-N 3.42Å
448Q88.9Confident89.2Confident100 Ų10095.1 Ų95.147%0.46746%0.457SS..Hα-helixtrans-59.9-41.5175.3-73.3175.2-13.600112.5T444 Q450 E451 A452T444-Q448 WeakPolarHBondContact O-CG 3.33Å; T444-Q448 PolarHBondContact O-N 2.91Å; Q448-Q450 VanDerWaalsContact C-N 3.33Å; Q448-Q450 PolarHBondContact O-N 3.24Å; Q448-E451 PolarHBondContact O-N 3.1Å; Q448-A452 VanDerWaalsContact O-CB 3.29Å; Q448-A452 WeakPolarHBondContact O-CB 3.35Å; Q448-A452 PolarHBondContact O-N 2.92Å
449R87.8Confident89.4Confident131 Ų13195.7 Ų95.749%0.49446%0.46SS..Hα-helixtrans-65.3-37.4175.1-74.3177.7-164174.211.7112.1T374 T445 H446 A447 A453T374-R449 VanDerWaalsContact CB-NH2 3.27Å; T374-R449 PolarHBondContact O-NH2 3.15Å; T374-R449 VanDerWaalsContact O-NH2 3.07Å; T445-R449 WeakPolarHBondContact O-CB 3.49Å; T445-R449 VanDerWaalsContact O-CG 3.24Å; T445-R449 WeakPolarHBondContact O-CG 3.14Å; T445-R449 PolarHBondContact O-N 3.47Å; H446-R449 PolarHBondContact O-N 3.44Å; A447-R449 VanDerWaalsContact C-N 3.34Å; A447-R449 PolarHBondContact O-N 2.94Å; R449-A453 WeakPolarHBondContact O-CB 3.26Å; R449-A453 PolarHBondContact O-N 2.88Å
450Q90.8Very high89.5Confident98 Ų9898.1 Ų98.146%0.45847%0.465SS..Hα-helixtrans-68.1-44.4177-75.6-172.8-34.300111.4H446 A447 Q448 A453 Q454H446-Q450 PolarHBondContact CE1-NE2 3.47Å; H446-Q450 WeakPolarHBondContact O-CB 3.3Å; H446-Q450 WeakPolarHBondContact O-CG 3.47Å; H446-Q450 PolarHBondContact O-N 3.25Å; A447-Q450 WeakPolarHBondContact O-CB 3.44Å; A447-Q450 PolarHBondContact O-N 2.88Å; A447-Q450 VanDerWaalsContact O-N 3.11Å; Q448-Q450 VanDerWaalsContact C-N 3.33Å; Q448-Q450 PolarHBondContact O-N 3.24Å; Q450-A453 PolarHBondContact O-N 2.97Å; Q450-Q454 WeakPolarHBondContact O-CB 3.34Å; Q450-Q454 VanDerWaalsContact O-CG 3.28Å; Q450-Q454 WeakPolarHBondContact O-CG 3.34Å; Q450-Q454 PolarHBondContact O-N 2.89Å
451E90.9Very high89.5Confident106 Ų10698.6 Ų98.650%0.49547%0.471SS..Hα-helixtrans-63-49.3176.5-172.8-179.4174.500111.2A447 Q448 A453 Q454 Q455A447-E451 WeakPolarHBondContact O-CB 3.19Å; A447-E451 PolarHBondContact O-N 3.42Å; Q448-E451 PolarHBondContact O-N 3.1Å; E451-A453 VanDerWaalsContact C-N 3.27Å; E451-A453 PolarHBondContact O-N 3.21Å; E451-Q454 CarbonylContact O-C 3.52Å; E451-Q454 WeakPolarHBondContact O-CB 3.25Å; E451-Q454 PolarHBondContact O-N 3.03Å; E451-Q455 WeakPolarHBondContact O-CG 3.43Å; E451-Q455 PolarHBondContact O-N 3.29Å; E451-Q455 PolarHBondContact OE1-NE2 2.92Å
452A90Very high89.7Confident41 Ų41104.3 Ų104.334%0.33949%0.491SS..Hα-helixtrans-61-35.7175.700000112.4Q448 R456Q448-A452 VanDerWaalsContact O-CB 3.29Å; Q448-A452 WeakPolarHBondContact O-CB 3.35Å; Q448-A452 PolarHBondContact O-N 2.92Å; A452-R456 WeakPolarHBondContact O-CB 3.25Å; A452-R456 VanDerWaalsContact O-CG 3.24Å; A452-R456 WeakPolarHBondContact O-CG 3.37Å; A452-R456 PolarHBondContact O-N 3.19Å; A452-R456 VanDerWaalsContact O-N 3.08Å
453A90.6Very high89.8Confident41 Ų41105.5 Ų105.534%0.33949%0.494SS..Hα-helixtrans-72.3-30.8174.500000112.9R449 Q450 E451 R457R449-A453 WeakPolarHBondContact O-CB 3.26Å; R449-A453 PolarHBondContact O-N 2.88Å; Q450-A453 PolarHBondContact O-N 2.97Å; E451-A453 VanDerWaalsContact C-N 3.27Å; E451-A453 PolarHBondContact O-N 3.21Å; A453-R457 WeakPolarHBondContact O-CB 3.47Å; A453-R457 WeakPolarHBondContact O-CD 3.36Å; A453-R457 WeakPolarHBondContact O-CG 3.2Å; A453-R457 PolarHBondContact O-N 3Å
454Q91.8Very high89.4Confident106 Ų106105.8 Ų105.850%0.49549%0.491SS..Hα-helixtrans-72.6-48.4174.2-77.3172.1-10.500110.8Q450 E451 R456 R457 E458Q450-Q454 WeakPolarHBondContact O-CB 3.34Å; Q450-Q454 VanDerWaalsContact O-CG 3.28Å; Q450-Q454 WeakPolarHBondContact O-CG 3.34Å; Q450-Q454 PolarHBondContact O-N 2.89Å; E451-Q454 CarbonylContact O-C 3.52Å; E451-Q454 WeakPolarHBondContact O-CB 3.25Å; E451-Q454 PolarHBondContact O-N 3.03Å; Q454-R456 VanDerWaalsContact C-N 3.34Å; Q454-R456 PolarHBondContact O-N 2.97Å; Q454-R457 CarbonylContact O-C 3.48Å; Q454-R457 WeakPolarHBondContact O-CA 3.43Å; Q454-R457 WeakPolarHBondContact O-CB 3.49Å; Q454-R457 PolarHBondContact O-N 3.34Å; Q454-E458 WeakPolarHBondContact O-CG 3.39Å; Q454-E458 PolarHBondContact O-N 2.79Å
455Q91.6Very high89.2Confident105 Ų105109.7 Ų109.749%0.49150%0.502SS..Hα-helixtrans-54.9-48.1174.5-71.3175.4-2.500111.3E451 R457 E458 E459E451-Q455 WeakPolarHBondContact O-CG 3.43Å; E451-Q455 PolarHBondContact O-N 3.29Å; E451-Q455 PolarHBondContact OE1-NE2 2.92Å; Q455-R457 VanDerWaalsContact C-N 3.25Å; Q455-R457 PolarHBondContact O-N 2.96Å; Q455-E458 PolarHBondContact O-N 2.79Å; Q455-E459 WeakPolarHBondContact O-CB 3.42Å; Q455-E459 PolarHBondContact O-N 3.12Å
456R91.3Very high89.2Confident167 Ų167115.6 Ų115.663%0.6353%0.529SS*.Hα-helixtrans-61.9-29.1174.4-74.1175.8-179.9-173.30.5113.7A452 Q454 R460A452-R456 WeakPolarHBondContact O-CB 3.25Å; A452-R456 VanDerWaalsContact O-CG 3.24Å; A452-R456 WeakPolarHBondContact O-CG 3.37Å; A452-R456 PolarHBondContact O-N 3.19Å; A452-R456 VanDerWaalsContact O-N 3.08Å; Q454-R456 VanDerWaalsContact C-N 3.34Å; Q454-R456 PolarHBondContact O-N 2.97Å; R456-R460 WeakPolarHBondContact O-CB 3.34Å; R456-R460 VanDerWaalsContact O-CD 3.3Å; R456-R460 WeakPolarHBondContact O-CD 3.35Å; R456-R460 WeakPolarHBondContact O-CG 3.43Å; R456-R460 PolarHBondContact O-N 3.16Å
457R91Very high88.8Confident186 Ų186119.9 Ų119.970%0.70254%0.541SS*.Hα-helixtrans-77.4-38.2176.1-76.9168.1-176.2-171.63.8111.4A453 Q454 Q455 A461A453-R457 WeakPolarHBondContact O-CB 3.47Å; A453-R457 WeakPolarHBondContact O-CD 3.36Å; A453-R457 WeakPolarHBondContact O-CG 3.2Å; A453-R457 PolarHBondContact O-N 3Å; Q454-R457 CarbonylContact O-C 3.48Å; Q454-R457 WeakPolarHBondContact O-CA 3.43Å; Q454-R457 WeakPolarHBondContact O-CB 3.49Å; Q454-R457 PolarHBondContact O-N 3.34Å; Q455-R457 VanDerWaalsContact C-N 3.25Å; Q455-R457 PolarHBondContact O-N 2.96Å; R457-A461 WeakPolarHBondContact O-CB 3.27Å; R457-A461 PolarHBondContact O-N 2.85Å
458E90.4Very high88.1Confident115 Ų115118.5 Ų118.554%0.53753%0.526SS..Hα-helixtrans-70.6-42.7178-72.5174-167.200111.6Q454 Q455 A461 R462Q454-E458 WeakPolarHBondContact O-CG 3.39Å; Q454-E458 PolarHBondContact O-N 2.79Å; Q455-E458 PolarHBondContact O-N 2.79Å; E458-A461 CarbonylContact O-C 3.59Å; E458-A461 WeakPolarHBondContact O-CB 3.38Å; E458-A461 PolarHBondContact O-N 2.91Å; E458-A461 VanDerWaalsContact O-N 3.11Å; E458-R462 WeakPolarHBondContact O-CB 3.24Å; E458-R462 PolarHBondContact O-N 2.9Å
459E90.4Very high87.5Confident130 Ų130120.5 Ų120.561%0.60754%0.539SS*.Hα-helixtrans-59.8-50.5173.8-173.8179.9-162.200111Q455 A461 R462 E463Q455-E459 WeakPolarHBondContact O-CB 3.42Å; Q455-E459 PolarHBondContact O-N 3.12Å; E459-A461 PolarHBondContact O-N 3.29Å; E459-R462 PolarHBondContact O-N 3.46Å; E459-R462 VanDerWaalsContact O-N 3.1Å; E459-E463 WeakPolarHBondContact O-CB 3.48Å; E459-E463 PolarHBondContact O-N 3.42Å
460R89.9Confident87.2Confident151 Ų151117.8 Ų117.857%0.5755%0.545SS*.Hα-helixtrans-61.2-27173.8-72.9173.6-177.7-170.9-1.5113.5R456 R464R456-R460 WeakPolarHBondContact O-CB 3.34Å; R456-R460 VanDerWaalsContact O-CD 3.3Å; R456-R460 WeakPolarHBondContact O-CD 3.35Å; R456-R460 WeakPolarHBondContact O-CG 3.43Å; R456-R460 PolarHBondContact O-N 3.16Å; R460-R464 WeakPolarHBondContact O-CB 3.49Å; R460-R464 VanDerWaalsContact O-CD 3.23Å; R460-R464 WeakPolarHBondContact O-CD 3.4Å; R460-R464 WeakPolarHBondContact O-CG 3.25Å; R460-R464 PolarHBondContact O-N 3.33Å
461A88.1Confident86.6Confident56 Ų56115.9 Ų115.946%0.46354%0.536SS..Hα-helixtrans-79.2-37.9175.900000111.2R457 E458 E459 R464 K465R457-A461 WeakPolarHBondContact O-CB 3.27Å; R457-A461 PolarHBondContact O-N 2.85Å; E458-A461 CarbonylContact O-C 3.59Å; E458-A461 WeakPolarHBondContact O-CB 3.38Å; E458-A461 PolarHBondContact O-N 2.91Å; E458-A461 VanDerWaalsContact O-N 3.11Å; E459-A461 PolarHBondContact O-N 3.29Å; A461-R464 PolarHBondContact O-N 2.93Å; A461-K465 WeakPolarHBondContact O-CB 3.31Å; A461-K465 PolarHBondContact O-N 3.16Å
462R88.5Confident85.8Confident179 Ų179120 Ų12068%0.67556%0.555SS**Hα-helixtrans-65.9-48.8176-167.6-177-62.3168.91.1111.2E458 E459 R464 K465 E466E458-R462 WeakPolarHBondContact O-CB 3.24Å; E458-R462 PolarHBondContact O-N 2.9Å; E459-R462 PolarHBondContact O-N 3.46Å; E459-R462 VanDerWaalsContact O-N 3.1Å; R462-R464 VanDerWaalsContact C-N 3.3Å; R462-R464 PolarHBondContact O-N 3.45Å; R462-K465 PolarHBondContact O-N 3.44Å; R462-K465 VanDerWaalsContact O-N 3.1Å; R462-E466 WeakPolarHBondContact O-CB 3.34Å; R462-E466 PolarHBondContact O-N 3Å
463E88.8Confident85.3Confident127 Ų127121 Ų12159%0.59356%0.555SS**Hα-helixtrans-58-41.2175.9-172.4-166173.300111.7E459 E466 R467E459-E463 WeakPolarHBondContact O-CB 3.48Å; E459-E463 PolarHBondContact O-N 3.42Å; E463-E466 PolarHBondContact O-N 2.97Å; E463-R467 VanDerWaalsContact O-CB 3.31Å; E463-R467 WeakPolarHBondContact O-CB 3.5Å; E463-R467 PolarHBondContact O-N 3Å
464R80.6Confident84.7Confident143 Ų143123.1 Ų123.154%0.5457%0.565SS.*Hα-helixtrans-65.2-40.4175.5-76.5172.1-170.9177.22.3112.8R460 A461 R462 L468R460-R464 WeakPolarHBondContact O-CB 3.49Å; R460-R464 VanDerWaalsContact O-CD 3.23Å; R460-R464 WeakPolarHBondContact O-CD 3.4Å; R460-R464 WeakPolarHBondContact O-CG 3.25Å; R460-R464 PolarHBondContact O-N 3.33Å; A461-R464 PolarHBondContact O-N 2.93Å; R462-R464 VanDerWaalsContact C-N 3.3Å; R462-R464 PolarHBondContact O-N 3.45Å; R464-L468 WeakPolarHBondContact O-CB 3.49Å; R464-L468 PolarHBondContact O-N 3.36Å
465K83.7Confident84.1Confident154 Ų154124.2 Ų124.267%0.6757%0.57SS**Hα-helixtrans-68.7-39178-172.8-178.8177.5-174.40111.6A461 R462 L468 L469A461-K465 WeakPolarHBondContact O-CB 3.31Å; A461-K465 PolarHBondContact O-N 3.16Å; R462-K465 PolarHBondContact O-N 3.44Å; R462-K465 VanDerWaalsContact O-N 3.1Å; K465-L468 WeakPolarHBondContact O-CB 3.33Å; K465-L468 PolarHBondContact O-N 3.11Å; K465-L469 PolarHBondContact O-N 3.27Å
466E87.3Confident83.5Confident135 Ų135124.2 Ų124.263%0.63157%0.569SS**Hα-helixtrans-65.7-44.8174.9-173.4173.7-179.200111.2R462 E463 L468 L469 A470R462-E466 WeakPolarHBondContact O-CB 3.34Å; R462-E466 PolarHBondContact O-N 3Å; E463-E466 PolarHBondContact O-N 2.97Å; E466-L468 VanDerWaalsContact C-N 3.25Å; E466-L468 PolarHBondContact O-N 3.14Å; E466-L469 PolarHBondContact O-N 2.98Å; E466-L469 VanDerWaalsContact O-N 3.11Å; E466-A470 WeakPolarHBondContact O-CB 3.49Å; E466-A470 PolarHBondContact O-N 2.81Å
467R82.3Confident82.9Confident197 Ų197119.1 Ų119.174%0.74355%0.552SS**Hα-helixtrans-60.2-34.2173.3-173176.7176.4172.93113E463E463-R467 VanDerWaalsContact O-CB 3.31Å; E463-R467 WeakPolarHBondContact O-CB 3.5Å; E463-R467 PolarHBondContact O-N 3Å
468L74.6Confident82.3Confident21 Ų21118.6 Ų118.611%0.1155%0.55CS..Hα-helixtrans-70-37.6175.5-176.465.2000112.4R464 K465 E466 L480 E481 E484R464-L468 WeakPolarHBondContact O-CB 3.49Å; R464-L468 PolarHBondContact O-N 3.36Å; K465-L468 WeakPolarHBondContact O-CB 3.33Å; K465-L468 PolarHBondContact O-N 3.11Å; E466-L468 VanDerWaalsContact C-N 3.25Å; E466-L468 PolarHBondContact O-N 3.14Å; L468-L480 HydrophobicContact CD1-CB 3.25Å; L468-L480 HydrophobicContact CD1-CD1 3.92Å; L468-L480 HydrophobicContact CD1-CG 4.23Å; L468-E481 HydrophobicContact CD1-CG 4.21Å; L468-E481 HydrophobicContact CD2-CG 3.78Å; L468-E481 HydrophobicContact CG-CG 4.26Å; L468-E484 WeakPolarHBondContact CD2-OE2 3.37Å
469L76.7Confident82Confident142 Ų142121.2 Ų121.274%0.74356%0.555SS**Hα-helixtrans-74.4-30.3179.6-171.866.1000112.3K465 E466 E471K465-L469 PolarHBondContact O-N 3.27Å; E466-L469 PolarHBondContact O-N 2.98Å; E466-L469 VanDerWaalsContact O-N 3.11Å; L469-E471 VanDerWaalsContact C-N 3.33Å
470A82.9Confident81.4Confident74 Ų74118.4 Ų118.461%0.61254%0.544SS*.THydrogen-bonded Turntrans-79.4-8.2178.100000114.3E466 E472E466-A470 WeakPolarHBondContact O-CB 3.49Å; E466-A470 PolarHBondContact O-N 2.81Å; A470-E472 PolarHBondContact O-N 3.36Å
471E78.4Confident81.1Confident57 Ų57115.2 Ų115.227%0.26654%0.535SS..  trans-76.6112.1178.9-17578.5-132.500110.5L469 D473 K476L469-E471 VanDerWaalsContact C-N 3.33Å; E471-D473 PolarHBondContact O-N 3.38Å; E471-K476 HydrophobicContact CG-CB 4.03Å; E471-K476 WeakPolarHBondContact OE1-CD 3.47Å; E471-K476 IonicContact OE1-NZ 3.77Å
472E73.2Confident80.9Confident192 Ų192120.1 Ų120.190%0.89755%0.546SS*.  trans-74.7-17.6-173.6-62.1179.3162.700114.6A470 P474A470-E472 PolarHBondContact O-N 3.36Å; E472-P474 WeakPolarHBondContact O-CD 3.47Å
473D79.8Confident80.7Confident64 Ų64116.3 Ų116.334%0.34254%0.538SS..  trans-88.2113.8-175.9-176-9.3000111.7E471 E475 K476 Q477E471-D473 PolarHBondContact O-N 3.38Å; D473-E475 VanDerWaalsContact C-N 3.25Å; D473-E475 PolarHBondContact O-N 3.27Å; D473-E475 PolarHBondContact OD1-N 3.43Å; D473-K476 HydrophobicContact CB-CB 4.13Å; D473-K476 HydrophobicContact CB-CD 4.01Å; D473-K476 HydrophobicContact CB-CG 4.13Å; D473-K476 PolarHBondContact O-N 3.14Å; D473-K476 VanDerWaalsContact O-N 3.11Å; D473-K476 WeakPolarHBondContact OD2-CE 2.99Å; D473-Q477 PolarHBondContact O-N 2.9Å
474P77.9Confident80.4Confident84 Ų84113.1 Ų113.155%0.54552%0.524SS..Hα-helixtrans-63.9-26.5-173.225.5-35000113.5E472 R478E472-P474 WeakPolarHBondContact O-CD 3.47Å; P474-R478 VanDerWaalsContact O-CG 3.29Å; P474-R478 WeakPolarHBondContact O-CG 3.33Å; P474-R478 PolarHBondContact O-N 3.02Å
475E79.6Confident80.6Confident129 Ų129111.2 Ų111.260%0.60352%0.523SS*.Hα-helixtrans-75.5-39.2176.2-71.2-157.4171.700112.2D473 R479D473-E475 VanDerWaalsContact C-N 3.25Å; D473-E475 PolarHBondContact O-N 3.27Å; D473-E475 PolarHBondContact OD1-N 3.43Å; E475-R479 WeakPolarHBondContact O-CG 3.38Å; E475-R479 PolarHBondContact O-N 2.92Å
476K78.4Confident80.8Confident106 Ų106110.1 Ų110.146%0.46152%0.519SS..Hα-helixtrans-68.6-43.6177.4-71.7-177.8-169.2166.60111.2E471 D473 R478 R479 L480E471-K476 HydrophobicContact CG-CB 4.03Å; E471-K476 WeakPolarHBondContact OE1-CD 3.47Å; E471-K476 IonicContact OE1-NZ 3.77Å; D473-K476 HydrophobicContact CB-CB 4.13Å; D473-K476 HydrophobicContact CB-CD 4.01Å; D473-K476 HydrophobicContact CB-CG 4.13Å; D473-K476 PolarHBondContact O-N 3.14Å; D473-K476 VanDerWaalsContact O-N 3.11Å; D473-K476 WeakPolarHBondContact OD2-CE 2.99Å; K476-R478 VanDerWaalsContact C-N 3.34Å; K476-R478 PolarHBondContact O-N 3.1Å; K476-R479 PolarHBondContact O-N 3.46Å; K476-R479 VanDerWaalsContact O-N 3.07Å; K476-L480 WeakPolarHBondContact O-CG 3.42Å; K476-L480 PolarHBondContact O-N 3.31Å
477Q77.8Confident80.7Confident59 Ų59109.9 Ų109.928%0.27652%0.516SS..Hα-helixtrans-55.9-49176.6-168.8-174.8-20.700111.1D473 R479 L480 E481D473-Q477 PolarHBondContact O-N 2.9Å; Q477-R479 VanDerWaalsContact C-N 3.3Å; Q477-R479 PolarHBondContact O-N 3.22Å; Q477-L480 PolarHBondContact O-N 3.19Å; Q477-E481 HydrophobicContact CG-CG 4.49Å; Q477-E481 WeakPolarHBondContact CG-OE1 3.33Å; Q477-E481 PolarHBondContact NE2-OE1 3.06Å; Q477-E481 WeakPolarHBondContact O-CB 3.32Å; Q477-E481 WeakPolarHBondContact O-CG 3.5Å; Q477-E481 PolarHBondContact O-N 3.48Å
478R80Confident80.7Confident176 Ų176106.3 Ų106.366%0.66451%0.507SS*.Hα-helixtrans-60.5-34.7176.4-75.9176.5176.1-172.11.3113.7P474 K476 K482P474-R478 VanDerWaalsContact O-CG 3.29Å; P474-R478 WeakPolarHBondContact O-CG 3.33Å; P474-R478 PolarHBondContact O-N 3.02Å; K476-R478 VanDerWaalsContact C-N 3.34Å; K476-R478 PolarHBondContact O-N 3.1Å; R478-K482 WeakPolarHBondContact O-CB 3.4Å; R478-K482 VanDerWaalsContact O-CG 3.27Å; R478-K482 WeakPolarHBondContact O-CG 3.48Å; R478-K482 PolarHBondContact O-N 3.13Å
479R83.1Confident81.1Confident170 Ų170113.5 Ų113.564%0.64253%0.533SS*.Hα-helixtrans-70.8-43.7176.6-74.1177.7-174.8-175.46.9111.1E475 K476 Q477 L483E475-R479 WeakPolarHBondContact O-CG 3.38Å; E475-R479 PolarHBondContact O-N 2.92Å; K476-R479 PolarHBondContact O-N 3.46Å; K476-R479 VanDerWaalsContact O-N 3.07Å; Q477-R479 VanDerWaalsContact C-N 3.3Å; Q477-R479 PolarHBondContact O-N 3.22Å; R479-L483 VanDerWaalsContact O-CG 3.31Å; R479-L483 WeakPolarHBondContact O-CG 3.25Å; R479-L483 PolarHBondContact O-N 2.79Å; R479-L483 VanDerWaalsContact O-N 3.14Å
480L78.4Confident81.6Confident71 Ų71113.4 Ų113.437%0.37253%0.527SS..Hα-helixtrans-66.9-46179.5-69.3171.3000111.7L468 K476 Q477 K482 L483 E484L468-L480 HydrophobicContact CD1-CB 3.25Å; L468-L480 HydrophobicContact CD1-CD1 3.92Å; L468-L480 HydrophobicContact CD1-CG 4.23Å; K476-L480 WeakPolarHBondContact O-CG 3.42Å; K476-L480 PolarHBondContact O-N 3.31Å; Q477-L480 PolarHBondContact O-N 3.19Å; L480-K482 PolarHBondContact O-N 2.8Å; L480-L483 WeakPolarHBondContact O-CB 3.34Å; L480-L483 PolarHBondContact O-N 2.83Å; L480-E484 PolarHBondContact O-N 3.15Å
481E82.3Confident81.5Confident84 Ų84117.9 Ų117.939%0.39353%0.532SS..Hα-helixtrans-56.6-45.5175.4-76.3173.5-17600112.1L468 Q477 L483 E484 L485L468-E481 HydrophobicContact CD1-CG 4.21Å; L468-E481 HydrophobicContact CD2-CG 3.78Å; L468-E481 HydrophobicContact CG-CG 4.26Å; Q477-E481 HydrophobicContact CG-CG 4.49Å; Q477-E481 WeakPolarHBondContact CG-OE1 3.33Å; Q477-E481 PolarHBondContact NE2-OE1 3.06Å; Q477-E481 WeakPolarHBondContact O-CB 3.32Å; Q477-E481 WeakPolarHBondContact O-CG 3.5Å; Q477-E481 PolarHBondContact O-N 3.48Å; E481-L483 VanDerWaalsContact C-N 3.3Å; E481-L483 PolarHBondContact O-N 2.92Å; E481-E484 PolarHBondContact O-N 3.34Å; E481-L485 WeakPolarHBondContact O-CB 3.4Å; E481-L485 PolarHBondContact O-N 2.96Å
482K85.3Confident81.5Confident159 Ų159123 Ų12369%0.69156%0.558SS**Hα-helixtrans-62.8-36.6176.4-77.1178-176.9179.50112.5R478 L480 K486R478-K482 WeakPolarHBondContact O-CB 3.4Å; R478-K482 VanDerWaalsContact O-CG 3.27Å; R478-K482 WeakPolarHBondContact O-CG 3.48Å; R478-K482 PolarHBondContact O-N 3.13Å; L480-K482 PolarHBondContact O-N 2.8Å; K482-K486 WeakPolarHBondContact O-CB 3.3Å; K482-K486 PolarHBondContact O-N 2.74Å; K482-K486 VanDerWaalsContact O-N 3.14Å
483L84.7Confident81.8Confident98 Ų98119.8 Ų119.851%0.51354%0.543SS..Hα-helixtrans-69.6-39.2177.1-73.7171.7000111.6R479 L480 E481 K486 K487R479-L483 VanDerWaalsContact O-CG 3.31Å; R479-L483 WeakPolarHBondContact O-CG 3.25Å; R479-L483 PolarHBondContact O-N 2.79Å; R479-L483 VanDerWaalsContact O-N 3.14Å; L480-L483 WeakPolarHBondContact O-CB 3.34Å; L480-L483 PolarHBondContact O-N 2.83Å; E481-L483 VanDerWaalsContact C-N 3.3Å; E481-L483 PolarHBondContact O-N 2.92Å; L483-K486 PolarHBondContact O-N 3.42Å; L483-K487 WeakPolarHBondContact O-CG 3.34Å; L483-K487 PolarHBondContact O-N 3.37Å; L483-K487 VanDerWaalsContact O-N 3.1Å
484E81.5Confident81.6Confident60 Ų60122 Ų12228%0.2856%0.561SS.*Hα-helixtrans-65.8-47.3175.4-69.1-151.3139.100112L468 L480 E481 K486 K487 E488L468-E484 WeakPolarHBondContact CD2-OE2 3.37Å; L480-E484 PolarHBondContact O-N 3.15Å; E481-E484 PolarHBondContact O-N 3.34Å; E484-K486 PolarHBondContact O-N 3.29Å; E484-K487 CarbonylContact O-C 3.54Å; E484-K487 WeakPolarHBondContact O-CA 3.26Å; E484-K487 WeakPolarHBondContact O-CB 3.39Å; E484-K487 PolarHBondContact O-N 3.28Å; E484-E488 PolarHBondContact O-N 2.96Å
485L84.6Confident81.4Confident103 Ų103129.6 Ų129.654%0.53958%0.579SS.*Hα-helixtrans-60.6-35.2178.1-160.3149.4000111.8E481 R489E481-L485 WeakPolarHBondContact O-CB 3.4Å; E481-L485 PolarHBondContact O-N 2.96Å; L485-R489 HydrophobicContact CD2-CG 4.23Å; L485-R489 WeakPolarHBondContact O-CB 3.23Å; L485-R489 WeakPolarHBondContact O-CG 3.25Å; L485-R489 PolarHBondContact O-N 3.22Å
486K88.1Confident81.1Confident131 Ų131129.6 Ų129.657%0.5759%0.587SS**Hα-helixtrans-67.5-36.3172.7-167.9176.9-175.3177.40112.3K482 L483 E484 K490K482-K486 WeakPolarHBondContact O-CB 3.3Å; K482-K486 PolarHBondContact O-N 2.74Å; K482-K486 VanDerWaalsContact O-N 3.14Å; L483-K486 PolarHBondContact O-N 3.42Å; E484-K486 PolarHBondContact O-N 3.29Å; K486-K490 VanDerWaalsContact O-CG 3.29Å; K486-K490 WeakPolarHBondContact O-CG 3.4Å; K486-K490 PolarHBondContact O-N 2.99Å
487K85.1Confident80.2Confident131 Ų131133.6 Ų133.657%0.5761%0.605SS**Hα-helixtrans-69.8-42175.4-73.4175.6-176.5173.90111.1L483 E484 K490 K491L483-K487 WeakPolarHBondContact O-CG 3.34Å; L483-K487 PolarHBondContact O-N 3.37Å; L483-K487 VanDerWaalsContact O-N 3.1Å; E484-K487 CarbonylContact O-C 3.54Å; E484-K487 WeakPolarHBondContact O-CA 3.26Å; E484-K487 WeakPolarHBondContact O-CB 3.39Å; E484-K487 PolarHBondContact O-N 3.28Å; K487-K490 WeakPolarHBondContact O-CB 3.34Å; K487-K490 PolarHBondContact O-N 3.45Å; K487-K491 WeakPolarHBondContact O-CG 3.27Å; K487-K491 PolarHBondContact O-N 3.06Å
488E82.7Confident79.5Confident121 Ų121139.7 Ų139.757%0.56563%0.633SS**Hα-helixtrans-66.2-44.4177.2-68.6-170.9155.500112.3E484 K490 K491 M492E484-E488 PolarHBondContact O-N 2.96Å; E488-K490 PolarHBondContact O-N 3.08Å; E488-K491 PolarHBondContact O-N 3.15Å; E488-M492 WeakPolarHBondContact O-CG 3.29Å; E488-M492 PolarHBondContact O-N 3.42Å
489R83.8Confident78.2Confident173 Ų173139 Ų13965%0.65364%0.642SS**Hα-helixtrans-57.9-34.6172.4-82.3-174.865.2-173.60.3112.8L485 Q493L485-R489 HydrophobicContact CD2-CG 4.23Å; L485-R489 WeakPolarHBondContact O-CB 3.23Å; L485-R489 WeakPolarHBondContact O-CG 3.25Å; L485-R489 PolarHBondContact O-N 3.22Å; R489-Q493 WeakPolarHBondContact O-CG 3.14Å; R489-Q493 PolarHBondContact O-N 3.01Å
490K85.7Confident76.7Confident140 Ų140140.6 Ų140.661%0.60965%0.653SS**Hα-helixtrans-72.5-32.6175-76.5178.3176.5-168.50112.8K486 K487 E488K486-K490 VanDerWaalsContact O-CG 3.29Å; K486-K490 WeakPolarHBondContact O-CG 3.4Å; K486-K490 PolarHBondContact O-N 2.99Å; K487-K490 WeakPolarHBondContact O-CB 3.34Å; K487-K490 PolarHBondContact O-N 3.45Å; E488-K490 PolarHBondContact O-N 3.08Å
491K80.7Confident75.7Confident168 Ų168144.8 Ų144.873%0.7368%0.675SS**Hα-helixtrans-72-36.4175.7-72178-177.2177.10112.3K487 E488 Q493K487-K491 WeakPolarHBondContact O-CG 3.27Å; K487-K491 PolarHBondContact O-N 3.06Å; E488-K491 PolarHBondContact O-N 3.15Å; K491-Q493 VanDerWaalsContact C-N 3.3Å; K491-Q493 PolarHBondContact O-N 3.27Å
492M78.7Confident74.4Confident164 Ų164149.9 Ų149.981%0.80870%0.696SS**SBendtrans-77.4-10.3-179.8-68.7-64-163.500114E488 P494E488-M492 WeakPolarHBondContact O-CG 3.29Å; E488-M492 PolarHBondContact O-N 3.42Å; M492-P494 WeakPolarHBondContact O-CD 3.46Å
493Q80.2Confident73Confident124 Ų124146.9 Ų146.958%0.57970%0.7SS**SBendtrans-73.3120.7177.2-81.8175.222.100110.8R489 K491 R495R489-Q493 WeakPolarHBondContact O-CG 3.14Å; R489-Q493 PolarHBondContact O-N 3.01Å; K491-Q493 VanDerWaalsContact C-N 3.3Å; K491-Q493 PolarHBondContact O-N 3.27Å; Q493-R495 PolarHBondContact O-N 3.18Å
494P75.5Confident71.3Confident112 Ų112151.9 Ų151.973%0.72774%0.735SS**  trans-64.8127.1179.825-32.4000110.9M492 V496M492-P494 WeakPolarHBondContact O-CD 3.46Å; P494-V496 PolarHBondContact O-N 3.3Å; P494-V496 VanDerWaalsContact O-N 3.11Å
495R73.3Confident70.8Confident243 Ų243156.5 Ų156.592%0.91776%0.758SS**  trans-77.191.9171.5-74.7-172.9167.2-164.3-3.9109.7Q493 K497Q493-R495 PolarHBondContact O-N 3.18Å; R495-K497 PolarHBondContact O-N 3.38Å; R495-K497 VanDerWaalsContact O-N 3.11Å
496V73.4Confident70.1Confident128 Ų128159.3 Ų159.378%0.77677%0.769SS**  trans-69.9103.7174.6-164.40000109.1P494 Q498P494-V496 PolarHBondContact O-N 3.3Å; P494-V496 VanDerWaalsContact O-N 3.11Å; V496-Q498 PolarHBondContact O-N 3.37Å
497K60.4Low69.1Low190 Ų190160.8 Ų160.883%0.82678%0.78SS**  trans-78.4110.7171.1-70.3-176.6-179.4179.50108.6R495 L499R495-K497 PolarHBondContact O-N 3.38Å; R495-K497 VanDerWaalsContact O-N 3.11Å; K497-L499 PolarHBondContact O-N 3.42Å; K497-L499 VanDerWaalsContact O-N 3.11Å
498Q62.1Low68.1Low188 Ų188162.6 Ų162.688%0.87979%0.793SS**  trans-70.6100.1171.2-70.1178.2-0.500109.7V496 K500V496-Q498 PolarHBondContact O-N 3.37Å; Q498-K500 PolarHBondContact O-N 3.39Å
499L53.4Low67.2Low161 Ų161165.2 Ų165.284%0.84381%0.807SS**  trans-77.4105.7162.7-95.8133.1000108.2K497 I501K497-L499 PolarHBondContact O-N 3.42Å; K497-L499 VanDerWaalsContact O-N 3.11Å; L499-I501 PolarHBondContact O-N 3.18Å
500K50.3Low66.1Low203 Ų203164.7 Ų164.788%0.88382%0.817SS**  trans-79.693.5176.9-150.4175.3-169.6176.40108.3Q498 K502Q498-K500 PolarHBondContact O-N 3.39Å; K500-K502 PolarHBondContact O-N 3.03Å
501I57.6Low64.7Low159 Ų159166.4 Ų166.482%0.81583%0.832SS**  trans-71.4114.6168-62.1169.6000106.9L499L499-I501 PolarHBondContact O-N 3.18Å
502K54.4Low63.5Low192 Ų192166.3 Ų166.384%0.83584%0.84SS**  trans-91.9101.2175.6-150.7-179.1-173.9-1730106.8K500K500-K502 PolarHBondContact O-N 3.03Å
503A57.1Low62.2Low95 Ų95166.5 Ų166.579%0.78584%0.843SS**  trans-79.5121.8168.400000108.5
504T48.7Very low60.6Low203 Ų203170.4 Ų170.4100%1.24587%0.866SS**  trans-136.80154.1-27.90000107.1

Retrieved 504 of 504 residues in 208 ms (Link to these results)

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